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China ShengDa Pharmaceutical Company

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Web: http://www.shengdapharm.com
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Address: 1003,Huichao Technology Building,Baoan, Shenzhen, Guangdong 518058, China
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Profile: China ShengDa Pharmaceutical Company is an ISO 14001:2004 & ISO 9001:2000 certified company. Our product line includes tannic acid, tretinoin, minoxidil, dipyridamole, telicoplanin, and calcipotriol. We also offer hydroxypropyl methylcellulose, macromolecule, polyacrylamide, and hydroxyethylcellulose.

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• Echinocandin B
Synonyms: AKOS015899653, AC-6111, I14-11713

Molecular Formula: C34H51N7O15Molecular Weight: 797.806640 [g/mol]
H-Bond Donor: 14H-Bond Acceptor: 16

InChIKey: BLKJKIJFNJAQIZ-UHFFFAOYSA-N

• Efavirenz
IUPAC Name: (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one | CAS Registry Number: 154598-52-4
Synonyms: efavirenz, Sustiva, Stocrin, 1ikv, 1ikw, Strocin (TM), Sustiva (TM), Sustiva (TN), efavirenz, (S)-isomer, Efavirenz (JAN/INN), C14H9ClF3NO2, DMP-266, HSDB 7163, MLS000759465, MLS001424087, DMP 266, Met-SDF-1.beta. & Efavirenz, AIDS032934, AIDS106821, AIDS-032934

Molecular Formula: C14H9ClF3NO2Molecular Weight: 315.674970 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: XPOQHMRABVBWPR-ZDUSSCGKSA-N

• Elesclomol
IUPAC Name: 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethylpropanedihydrazide | CAS Registry Number: 488832-69-5
Synonyms: UNII-6UK191M53P, NSC174939, STA 4783, STA-4783, CID300471, NCI60_001429, N'1,N'3-dimethyl-N'1,N'3-bis(phenylcarbonothioyl)propanedihydrazide, Propanedioic acid, bis[2-methyl-2-(phenylthioxomethyl)hydrazide]

Molecular Formula: C19H20N4O2S2Molecular Weight: 400.517700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BKJIXTWSNXCKJH-UHFFFAOYSA-N

• Eltrombopag
IUPAC Name: 3-[(5E)-5-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-6-oxocyclohexa-1,3-dien-1-yl]benzoic acid | CAS Registry Number: 496775-61-2
Synonyms: Promacta, Revolade, UNII-S56D65XJ9G, Eltrombopag [INN], SB 497115, 3'-[2-[(2Z)-1-(3,4-Dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazinyl]-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid, SB-497115-GR, EN002876, SB497115, [1,1'-Biphenyl]-3-carboxylic acid, 3'-[(2Z)-[1-(3,4-dime, PubChem20546, thylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazino]-2'-hydroxy- (9CI), (1,1'-Biphenyl)-3-carboxylic acid, 3'-((2Z)-(1-(3,4-dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)hydrazino)-2'-hydroxy-, (E)-3\'-(2-(1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-2\'-hydroxybiphenyl-3-carboxylic acid, S56D65XJ9G, BCPP000243, ABP000381, AKOS015920246, BCP9000641, DB06210

Molecular Formula: C25H22N4O4Molecular Weight: 442.466580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: TYEXNVNUZXJNBN-YYADALCUSA-N

• Emtricitabine
IUPAC Name: 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one | CAS Registry Number: 143491-57-0
Synonyms: Emtriva, Coviracil, Racivir, Truvada, Mixture Name, dOTFC, Emtriva (TN), (-)-FTC, 2-FTC, (-)-.beta.-L-FTC, BW524W91, C8H10FN3O3S, DRG-0208, Emtricitabine (JAN/USAN/INN), HSDB 7337, 2'-Deoxy-5-fluoro-3'-thiacytidine, BW 524W91, BW-524W91, FTC, (-)-, AIDS004782

Molecular Formula: C8H10FN3O3SMolecular Weight: 247.246703 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: XQSPYNMVSIKCOC-NTSWFWBYSA-N

• Entecavir
IUPAC Name: 2-amino-9-[(3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one | CAS Registry Number: 142217-69-4
Synonyms: Baraclude, Entecavir [INN], Entecavir [USAN:INN], HSDB 7334, BMS 200475, CID170343, SQ 34676, NCGC00164563-01, LS-186647, LS-187009, LS-187784, 6H-Purin-6-one, 2-amino-1,9-dihydro-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-

Molecular Formula: C12H15N5O3Molecular Weight: 277.279200 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: QDGZDCVAUDNJFG-PPSBICQBSA-N

• Entinostat
IUPAC Name: pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate | CAS Registry Number: 209783-80-2
Synonyms: ms-275, nchembio.275-comp4, MS 275, Histone Deacetylase Inhibitor I, SNDX 275, SNDX-275, CID4261, MS-27-275, CHEBI:136237, MS 27-275, IN1470, NSC706995, ZINC01488870, NSC-706995, NCGC00165833-01, NCGC00165833-02, NCI60_038022, LS-185285, EC-000.2117, C118739

Molecular Formula: C21H20N4O3Molecular Weight: 376.408500 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: INVTYAOGFAGBOE-UHFFFAOYSA-N

• Enzalutamide
IUPAC Name: 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-methylbenzamide | CAS Registry Number: 915087-33-1
Synonyms: MDV3100, MDV-3100, MDV 3100, 4-(3-(4-cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl)-2-fluoro-N-methylbenzamide, XTANDI, UNII-93T0T9GKNU, CHEBI:68534, MDV-3100, 915087-33-1, MDV-3100, MDV3100, 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-methylbenzamide, 4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl}-2-fluoro-N-methylbenzamide, 4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl}-2-fluoro-N-methylbenzamide, Xtandi (TN), S1250_Selleck, PubChem19320, MDV3100 Enzalutamide, AGN-PC-00QCRK, Enzalutamide (JAN/USAN), MDV3100 (Enzalutamide), 93T0T9GKNU

Molecular Formula: C21H16F4N4O2SMolecular Weight: 464.435953 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: WXCXUHSOUPDCQV-UHFFFAOYSA-N

• Enzastaurin
IUPAC Name: 3-(1-methylindol-3-yl)-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrole-2,5-dione | CAS Registry Number: 170364-57-5
Synonyms: UNII-UC96G28EQF, CHEBI:183217, CID176167, LY317615, 1H-Pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-(1-(2-pyridinylmethyl)-4-piperidinyl)-1H-indol-3-yl)-, 3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmethyl-piperidin-4-yl)-1H-indol-3-yl]-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-{1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione

Molecular Formula: C32H29N5O2Molecular Weight: 515.604960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: AXRCEOKUDYDWLF-UHFFFAOYSA-N

• Epalrestat
IUPAC Name: 2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid | CAS Registry Number: 82159-09-9
Synonyms: epalrestat, Kinedak, Epalrestat [INN], Epalrestatum [Latin], Kinedak (TN), Epalrestat (JAN/INN), Ono 2235, Ono-2235, ONO 2, ONO-2, MLS000806985, C15H13NO3S2, SBB015450, NCGC00164613-01, SMR000414799, LS-151103, D01688, 3-carboxymethyl-5-(methyl-3-phenylpropenylidene)rhodanine, 5-((Z,E)-beta-Methylcinnamylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid, 3-Thiazolidineacetic acid, 5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-, (E,E)-

Molecular Formula: C15H13NO3S2Molecular Weight: 319.398620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CHNUOJQWGUIOLD-NFZZJPOKSA-N

• Epirubicin
IUPAC Name: (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | CAS Registry Number: 56420-45-2
Synonyms: Epiadriamycin, 4'-Epiadriamycin, Epidoxorubicin, Ridorubicin, Ellence, 4'-epidoxorubicin, Farmorubicin, Pidorubicin, 4-Epidoxorubicin, Epi-DX, Epirubicine [French], Epirubicinum [Latin], Epirubicina [Spanish], 4'-epi-Doxorubicin, Epirubicine [INN-French], Epirubicinum [INN-Latin], Epirubicin [INN:BAN], Epirubicina [INN-Spanish], Pidorubicine [INN-French], Pidorubicinum [INN-Latin]

Molecular Formula: C27H29NO11Molecular Weight: 543.519260 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 12

InChIKey: AOJJSUZBOXZQNB-VTZDEGQISA-N

• Epothilone D
IUPAC Name: (3S,7S,9Z,14S,15S,16R)-3,15-dihydroxy-2,2,10,14,16-pentamethyl-7-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-6-oxacyclohexadec-9-ene-1,5-dione | CAS Registry Number: 189453-10-9
Synonyms: Desoxyepothilone b, dEpoB, (-)-Desoxyepothilone B, 12,13-Desoxy-Epothilone B, Z-12,13-desoxyepothilone B, KOS-862, CHEBI:253013, Biologically synthesized Epothilone D, CID447865, LMPK04000001, NSC703147, NSC721085, ZINC03951739, NSC-703147, C12039, R-1492, EPD, 3,15-dihydroxy-2,2,10,14,16-pentamethyl-7-[1-methyl-2-(2-methyl-1,3-thiazol-4-yl)-(E)-1-ethenyl]-6-oxa-9-cyclohexadecene-1,5-dione

Molecular Formula: C27H41NO5SMolecular Weight: 491.683140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: XOZIUKBZLSUILX-GIQCAXHBSA-N

• EPPS
IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid | CAS Registry Number: 16052-06-5
Synonyms: Hepps, E0276_SIGMA, E1894_SIGMA, E9502_SIGMA, 54465_FLUKA, 54465_SIGMA, EINECS 240-198-8, CID85255, BRN 3957385, 4-(2-Hydroxyethyl)-1-piperazinepropanesulfonic acid, LS-113260, LT00138110, 4-(2-Hydroxyethyl)-1-piperazinepropanesulphonic acid, 1-Piperazinepropanesulfonic acid, 4-(2-hydroxyethyl)-, 4-(2-Hydroxyethyl)-1-piperazinepropane sulfonic acid, 4-(2-Hydroxyethyl)piperazine-1-propanesulfonic acid, N-2-Hydroxyethylpiperazine-N-3-propanesulfonic acid, N-2-Hydroxyethylpiperazine-N'- 3-propanesulfonic acid, N-(2-Hydroxyethyl)piperazine-N'-(3-propanesulfonic acid), 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID

Molecular Formula: C9H20N2O4SMolecular Weight: 252.331100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: OWXMKDGYPWMGEB-UHFFFAOYSA-N

• Erlotinib
IUPAC Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine | CAS Registry Number: 183321-74-6
Synonyms: Tarceva, erlotinib HCl, Erlotinib [INN], Erlotinib(Tarceva), nchembio866-comp3, OSI-774, STOCK6S-52681, CID176870, DB00530, NCGC00164574-01, BCB03_000783, CP 358774, CP-358774, LS-184395, CP 358,774, CP-358,774, K00241, C400278, N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine, 4-Quinazolinamine, N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-

Molecular Formula: C22H23N3O4Molecular Weight: 393.435720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: AAKJLRGGTJKAMG-UHFFFAOYSA-N

• Erlotinib Hcl
IUPAC Name: 2-[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxyethanol | CAS Registry Number: 183321-84-8
Synonyms: 4-[(3-Ethynylphenyl)amino]-6,7-bis(2-hydroxyethoxy)quinazoline, Erlotinib metabolite, O-Didesmethylerlotinib, AGN-PC-00S2OQ, CTK4D8462, ZINC22057163, AKOS015907687, AG-E-33052, KB-188465, FT-0658083, ST51054786, A812765, I14-2708, 2-[[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)-6-quinazolinyl]oxy]ethanol, 2-[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxyethanol, 2-[4-[(3-ethynylphenyl)amino]-7-(2-hydroxyethyloxy)quinazolin-6-yl]oxyethanol, Ethanol,2-[[4-[(3-ethynylphenyl)amino]-6-(2-hydroxyethoxy)-7-quinazolinyl]oxy]-, Ethanol,2,2'-[[4-[(3-ethynylphenyl)amino]-6,7-quinazolinediyl]bis(oxy)]bis- (9CI);CP373943;2,2'-[{4-[(3-Ethynylphenyl)amino]-6,7-quinazolinediyl}bis(oxy)]diethanol;

Molecular Formula: C20H19N3O4Molecular Weight: 365.382560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: YWSAEKIQJPQSDJ-UHFFFAOYSA-N

• Erlotinib hydrochloride
IUPAC Name: N-(4-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride | CAS Registry Number: 183319-69-9
Synonyms: Tarceva, Tarceva (TN), Erlotinib hydrochloride (JAN/USAN), CID11954378, D04023

Molecular Formula: C22H24ClN3O4Molecular Weight: 429.896660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: OMDIKDVVYHAXGO-UHFFFAOYSA-N

• ert-butyl 4-(2-(trifluoromethyl)phenyl)piperazine-1-carboxylatet
IUPAC Name: tert-butyl 4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxylate | CAS Registry Number: 1121596-52-8
Synonyms: DA-15445, tert-butyl 4-(2-(trifluoromethyl)phenyl)piperazine-1-carboxylate

Molecular Formula: C16H21F3N2O2Molecular Weight: 330.345350 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: RTYQPVAFIARCKN-UHFFFAOYSA-N

• Ertapenem sodium
IUPAC Name: sodium 3-[[(2S,4S)-4-[[(4R,5S,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]pyrrolidine-2-carbonyl]amino]benzoate | CAS Registry Number: 153773-82-1
Synonyms: Invanz, Invanz (TN), Ertapenem sodium (USAN), MK 826, MK-826, MK-0826, ZD-4433, LS-181819, D04049, L 749345, L 749345, MK 826, L-749345, 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-(((3S,5S)-5-(((3-carboxyphenyl)amino)carbonyl)-3-pyrrolidinyl)thio)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-, monosodium salt, (4R,5S,6S)-, 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((5-(((3-carboxyphenyl)amino)carbonyl)-3-pyrrolidinyl)thio)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-, monosodium salt, (4R-(3(3S*,5S*),4alpha,5beta,6beta(R*)))-, 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((5-(((3-carboxyphenyl)amino)carbonyl)-3-pyrrolidinyl)thio)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-monosodium salt,(4R-(3(3S*,5S*), 4alpha,5beta,6beta(R*)))

Molecular Formula: C22H24N3NaO7SMolecular Weight: 497.496630 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: ZXNAQFZBWUNWJM-HRXMHBOMSA-M

• Estramustine phosphate sodium
IUPAC Name: disodium [(8R,9S,13S,14S,17S)-3-[bis(2-chloroethyl)carbamoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] phosphate | CAS Registry Number: 52205-73-9
Synonyms: Emcyt, Emcyt (TN), Ambap4001, Estramustine sodium phosphate, Estramustine phosphate disodium, CHEBI:31562, Estramustine phosphate sodium (USAN), C13031, D02398, Estradiol 3-(bis(2-chloroethyl)carbamate) 17-(dihydrogen phosphate), disodium salt, disodium (17beta)-3-{[bis(2-chloroethyl)carbamoyl]oxy}estra-1(10),2,4-trien-17-yl phosphate

Molecular Formula: C23H30Cl2NNa2O6PMolecular Weight: 564.346701 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: IIUMCNJTGSMNRO-VVSKJQCTSA-L

• Ethyl 2-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate
IUPAC Name: ethyl 2-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate | CAS Registry Number: 238749-50-3
Synonyms: AGN-PC-00L8PN, SureCN1244590, AKOS015936250, QC-1864, ethyl 2-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate, 4H-Thieno[3,2-b]pyrrole-5-carboxylic acid, 2-bromo-, ethyl ester

Molecular Formula: C9H8BrNO2SMolecular Weight: 274.134320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KXGSKTSSCQBDOA-UHFFFAOYSA-N

• Ethyl 3,4-dihydroxybenzoate
IUPAC Name: ethyl 3,4-dihydroxybenzoate | CAS Registry Number: 3943-89-3
Synonyms: Ethyl protocatechuate, Ambap72, 3,4-DHBEEOP, E24859_ALDRICH, Protocatechuic acid ethyl ester, Protocatechuic acid, ethyl ester, AIDS018069, AIDS108197, AIDS-018069, AIDS-108197, CID77547, NSC86130, EINECS 223-529-0, NSC 86130, NSC619681, ZINC00403548, 3,4-Dihydroxybenzoic acid, ethyl ester, Benzoic acid, 3,4-dihydroxy-, ethyl ester, 3,4-Dihydroxybenzoic acid, Ethyl ester, homopolymer, Benzoic acid, 3,4-dihydroxy-, ethyl ester (9CI)

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KBPUBCVJHFXPOC-UHFFFAOYSA-N

• Ethyl 3-(trimethylsilyl)propiolate
IUPAC Name: ethyl 3-trimethylsilylprop-2-ynoate | CAS Registry Number: 16205-84-8
Synonyms: Ethyl 3-(trimethylsilyl)-2-propynoate, Ethyl 3-(trimethylsilyl)propynoate, ACMC-1BVR4, AC1LC2W2, AC1Q63MU, 329452_ALDRICH, CTK4D1071, MolPort-003-930-158, ethyl 3-trimethylsilylprop-2-ynoate, AR-1I8681, SBB008832, AKOS015911739, AG-B-64093, AK-60541, KB-252861, 2-Propynoic acid, 3-(trimethylsilyl)-, ethyl ester, 2-Propynoic acid,3-(trimethylsilyl)-, ethyl ester, I14-37774

Molecular Formula: C8H14O2SiMolecular Weight: 170.281060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QRBKPHYAIRLCLK-UHFFFAOYSA-N

• Ethyl 3-methoxy-4-((1-methylpiperidin-4-yl)methoxy)-6-nitrobenzoate
IUPAC Name: ethyl 5-methoxy-4-[(1-methylpiperidin-4-yl)methoxy]-2-nitrobenzoate | CAS Registry Number: 264208-63-1
Synonyms: ETHYL 3-METHOXY-4-((1-METHYLPIPERIDIN-4-YL)METHOXY)-6-NITROBENZOATE, Ethyl 5-methoxy-4-((1-methylpiperidin-4-yl)methoxy)-2-nitrobenzoate, ethyl 5-methoxy-4-[[1-methylpiperidin-4-yl]methoxy]-2-nitrobenzoate, SCHEMBL1614754, YKLVXLQPUAUIGF-UHFFFAOYSA-N, AKOS027337644, ZINC116671831, ACM264208631, AK339373, HE330021, ethyl 3-methoxy-4-(1-methylpiperidin-4-ylmethoxy)-6-nitrobenzoate, ethyl 3-methoxy4-(1-methylpiperidin-4-ylmethoxy)-6-nitrobenzoate

Molecular Formula: C17H24N2O6Molecular Weight: 352.387 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: YKLVXLQPUAUIGF-UHFFFAOYSA-N

• ethyl 4-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
IUPAC Name: ethyl 4-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate | CAS Registry Number: 1234616-15-9
Synonyms: PB19589, ETHYL 4-CHLORO-6-AZAINDOLE-2-CARBOXYLATE, ETHYL 4-CHLORO-1H-PYRROLO[2,3-C]PYRIDINE-2-CARBOXYLATE

Molecular Formula: C10H9ClN2O2Molecular Weight: 224.643660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GKVIEEJBFFRMMG-UHFFFAOYSA-N

• Ethyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
IUPAC Name: ethyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate | CAS Registry Number: 2199-47-5
Synonyms: Maybridge1_002027, NSC22702, ZINC00132466, ST5411201, SR-01000643292-1, 3,5-Dimethyl-4-ethyl-1H-pyrrole-2-carboxylic acid ethyl ester, 1H-Pyrrole-2-carboxylic acid, 4-ethyl-3,5-dimethyl-, ethyl ester

Molecular Formula: C11H17NO2Molecular Weight: 195.258180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GIGBRYTXWUHNAZ-UHFFFAOYSA-N

• ethyl 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate
IUPAC Name: ethyl 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylate | CAS Registry Number: 163521-11-7
Synonyms: Ethyl 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate, SureCN8805890, AGN-PC-0059G7, CTK8B9654, MolPort-005-933-363, ANW-62849, AKOS016004152, AK101600, KB-77144, L013116, ethyl 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylate, 5-{4-[4-(5-CYANO-1H-INDOL-3-YL)-BUTYL]-PIPERAZIN-1-YL}-BENZOFURAN-2-CARBOXYLIC ACID ETHYL ESTER

Molecular Formula: C28H30N4O3Molecular Weight: 470.562800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: NEAYFBXORWZSFT-UHFFFAOYSA-N

• ethyl 5-(acetoxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
IUPAC Name: ethyl 5-(acetyloxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate | CAS Registry Number: 100619-73-6
Synonyms: ST007692, ethyl 5-(acetyloxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate, ZINC00049227, AC1LEAZ1, Oprea1_342645, MolPort-002-699-822, STK756311, AKOS001723495, MCULE-9152062290, KB-51332, A16213, A1534/0066695, [5-(ethoxycarbonyl)-3-ethyl-4-methylpyrrol-2-yl]methyl acetate, Ethyl5-(acetoxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate, ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate, 5-[(Acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester

Molecular Formula: C13H19NO4Molecular Weight: 253.294260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: GQRDHGBHCWLNQG-UHFFFAOYSA-N

• Etizolam
Synonyms: etizolam, Depas, Etizolamum, Sedekopan, Pasaden, Sedekopan (TN), Etizolamum [INN-Latin], Etizolam [INN:JAN], etizolam, 14C-labeled, Etizolam (JP15/INN), C17H15ClN4S, UNII-A76XI0HL37, AHR 3219, CID3307, BRN 0572740, Y-7131, Y 7131, LS-156938, D01514, C044610

Molecular Formula: C17H15ClN4SMolecular Weight: 342.845800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VMZUTJCNQWMAGF-UHFFFAOYSA-N

• Everolimus
Synonyms: Certican, Afinitor, Everolimus [USAN], SDZ-RAD, RAD001, NVP-RAD-001, RAD 001, RAD-001C, 42-O-(2-Hydroxyethyl)rapamycin, RAD-001, Rapamycin, 42-O-(2-hydroxyethyl)-, 42-O-(2-Hydroxy)ethyl rapamycin, NCGC00167512-01, LS-143292, (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-Dihydroxy-12-((1R)-2-((1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl)-1-methylethyl)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo(30.3.1.04,9)hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentaone, RAD, (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-Dihydroxy-12-((1R)-2-((1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl)-1-methylethyl)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo(30.3.1.0(sup 4,9))hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentaone, (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-Hexadecahydro-9,27-dihydroxy-3-((1R)-2-((1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl)-1-methylethyl)-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-23,27-epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone, (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone

Molecular Formula: C53H83NO14Molecular Weight: 958.224420 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 14

InChIKey: HKVAMNSJSFKALM-GKUWKFKPSA-N

• FAAH-IN-2
IUPAC Name: 4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol | CAS Registry Number: 184475-71-6
Synonyms: 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol, 4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-ol, 6-Quinazolinol, 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-, zlchem 556, SureCN8383, AGN-PC-0D0J0J, O-Desmorpholinopropyl Gefitinib, CTK4D8745, ZLC0421, MolPort-003-846-423, ANW-44858, ZINC22056459, AKOS015888617, AG-E-33988, LS40991, RL02351, AK-88763, AB1004619, KB-186543, AM20090618

Molecular Formula: C15H11ClFN3O2Molecular Weight: 319.718143 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: JLVTVCRXFMLUIF-UHFFFAOYSA-N

• Fasiglifam
IUPAC Name: 2-[(3S)-6-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid | CAS Registry Number: 1000413-72-8
Synonyms: TAK-875, TAK875, CHEMBL1829174, TAK 875, Fasiglifam (INN), Fasiglifam [INN], 3-Benzofuranacetic acid, 6-[[2',6'-diMethyl-4'-[3-(Methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl]Methoxy]-2,3-dihydro-, (3S)-, ((3S)-6-({3-[4-(3-methanesulfonylpropoxy)-2,6-dimethylphenyl]phenyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl)acetic acid, [(3S)-6-({3-[4-(3-methanesulfonylpropoxy)-2,6-dimethylphenyl]phenyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid, PubChem24441, UNII-GLP1W4JXAH, cc-64, SureCN204652, QCR-231, CS-0282, PB24359, RL00005, RL00413, NCGC00346669-01, HY-10480

Molecular Formula: C29H32O7SMolecular Weight: 524.625180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: BZCALJIHZVNMGJ-HSZRJFAPSA-N

• Fasudil
IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | CAS Registry Number: 103745-39-7
Synonyms: Eril, Fasudil [INN], 2esm, 2gni, Fasudil hydrochloride, Fasudilum [INN-Latin], Tocris-0541, 1q8w, BiomolKI_000038, BiomolKI2_000046, Fasudil (HA-1077), ha-1077, BSPBio_001111, KBioGR_000451, KBioSS_000451, AT 877, HA1077, C14H17N3O2S, HA 1077, KBio2_000451

Molecular Formula: C14H17N3O2SMolecular Weight: 291.368680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: NGOGFTYYXHNFQH-UHFFFAOYSA-N

• Fasudil hydrochloride
IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline hydrochloride | CAS Registry Number: 105628-07-7
Synonyms: Fasudil, Fasdil, Eril, AT 877 hydrochloride, HA 1077 hydrochloride, Fasudil hydrochloride (JAN), C14H17N3O2S.HCl, MLS000069344, ha-1077, HA-1077 DIHYDROCHLORIDE, AT-877, CID163751, NCGC00180915-01, LS-60222, SMR000058993, D01840, 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-, monohydrochloride, Hexahydro-1-(5-isoquinolinylsulfonyl)-1H-1,4-diazepine monohydrochloride, 133337-43-6

Molecular Formula: C14H18ClN3O2SMolecular Weight: 327.829620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: LFVPBERIVUNMGV-UHFFFAOYSA-N

• Fenticonazole Nitrate
IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylsulfanylphenyl)methoxy]ethyl]imidazole; nitric acid | CAS Registry Number: 73151-29-8
Synonyms: Lomexin, Falvin, FENTICONAZOLE NITRATE, Lomexin (TN), Fenticonazole mononitrate, fenticonazole mononitate, Fenticonazole nitrate [USAN], Rec-151476B free base, Fenticonazole nitrate (USAN), C24H20Cl2N2OS.HNO3, EINECS 277-302-6, Rec-151476, CID51754, REC 15/1476, LS-78412, D02583, (+-)-1-(2,4-Dichloro-beta-((p-(phenylthio)benzyl)oxy)phenethyl)imidazole mononitrate, 1-(2-(2,4-Dichlorophenyl)-2-((4-(phenylthio)phenyl)methoxy)ethyl)-1H-imidazolium nitrate, alpha-(2,4-Dichlorophenyl)-beta,N-imidazolylethyl-4-phenylthiobenzyl ether nitrate, Imidazole, 1-(2,4-dichloro-beta-(p-(phenylthio)benzyloxy)phenethyl)-, nitrate

Molecular Formula: C24H21Cl2N3O4SMolecular Weight: 518.412240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: FJNRUWDGCVDXLU-UHFFFAOYSA-N

• Fidaxomicin
IUPAC Name: [(2R,3S,4S,5S,6R)-6-[[(8S,11S,12R,18S)-12-[(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyloxan-3-yl] 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate | CAS Registry Number: 873857-62-6
Synonyms: CTK8E6507

Molecular Formula: C52H74Cl2O18Molecular Weight: 1058.039160 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 18

InChIKey: ZVGNESXIJDCBKN-WUIGKKEISA-N

• Firocoxib
IUPAC Name: 3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one | CAS Registry Number: 189954-96-9
Synonyms: Equioxx, Previcox, Equioxx (TN), Firocoxib (USAN/INN), Firocoxib [USAN:INN], UNII-Y6V2W4S4WT, CHEBI:211117, CID208910, D03712, ML-1,785,713, 3-(Cyclopropylmethoxy)-4-(4-methylsulfonylphenyl)-5,5-dimethylfuranone, 2(5H)-Furanone, 3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-(methylsulfonyl)phenyl)-, 3-(Cyclopropylmethoxy)-5,5-dimethyl-4-(4-(methylsulfonyl)phenyl)furan-2(5H)-one, 3-Cyclopropylmethoxy-4-(4-methanesulfonyl-phenyl)-5,5-dimethyl-5H-furan-2-one

Molecular Formula: C17H20O5SMolecular Weight: 336.402700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: FULAPETWGIGNMT-UHFFFAOYSA-N

• Flavopiridol
IUPAC Name: 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one | CAS Registry Number: 146426-40-6
Synonyms: nchembio.90-comp9, CID5459219, NCI60_017396, L 868275, L-868275, L86-8275, (-)-2-(2-Chlorophenyl)-5,7-dihydroxy-8-[(3R,4S)-3-hydroxy-1-methyl-4-piperidinyl]-4H-1-benzopyran-4-one, (-)cis-5,7-Dihydroxy-2-(2-chlorophenyl)-8-(4-(3-hydroxy-1-methyl)piperidinyl)-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-((3R,4S)-3-hydroxy-1-methyl-4-piperidinyl)-, rel-(-)-, 4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-4-piperidinyl)-, cis-(-)-

Molecular Formula: C21H20ClNO5Molecular Weight: 401.840200 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: BIIVYFLTOXDAOV-PXAZEXFGSA-N

• FMOC-(HMB)GLY-OH
IUPAC Name: 2-[9H-fluoren-9-ylmethoxycarbonyl-[(2-hydroxy-4-methoxyphenyl)methyl]amino]acetic acid | CAS Registry Number: 148515-78-0
Synonyms: CTK8E8850, Fmoc-N-(2-hydroxy-4-methoxy-benzyl)-Gly-OH, {[(9H-fluoren-9-ylmethoxy)carbonyl][(2-hydroxy-4-methoxyphenyl)methyl]amino}acetic acid

Molecular Formula: C25H23NO6Molecular Weight: 433.453220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: SFNQJVQTVYXPFN-UHFFFAOYSA-N

• Fmoc-3-[[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino]-L-alanine
IUPAC Name: (2S)-3-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid | CAS Registry Number: 607366-20-1
Synonyms: (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl)amino)propanoic acid, AmbotzFAA1464, MolPort-008-267-666, AKOS015901096, AK-88067, AJ-116549, Fmoc-3-[[1- -3-methylbutyl]amino]-L-alanine, I14-15384

Molecular Formula: C31H36N2O6Molecular Weight: 532.627340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: HLIFXCXTXPXGNH-VWLOTQADSA-N

• Fmoc-D-Lys(Dde)-OH
IUPAC Name: (2S)-6-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid | CAS Registry Number: 150629-67-7
Synonyms: Fmoc-Lys(Dde)-OH, AmbotzFAA1390, FMOC-LYS(DDE), SureCN1983929, FMOC-L-LYS(DDE)-OH, MolPort-008-267-653, AK-49415, N-ALPHA-FMOC-N-EPSILON-DDE-L-LYSINE, FT-0081957, N-Fmoc-N'-[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)ethyl]-D-lysine, FMOC-N-EPSILON-1-(4,4-DIMETHYL-2,6-DIOXOCYCLOHEX-1-YLIDENE)ETHYL-L-LYSINE, N-A-FMOC-N-E-1-(4,4-DIMETHYL-2,6-DIOXOCYCLOHEX-1-YLIDENE)ETHYL-L-LYSINE, N-ALPHA-FMOC-N-E-1-(4,4-DIMETHYL-2,6-DIOXOCYCLOHEX-1-YLIDENE)ETHYL-L-LYSINE, N-ALPHA-FMOC-N-EPSILON-1-(4,4-DIMETHYL-2,6-DIOXOCYCLOHEX-1-YLIDENE)ETHYL-L-LYSINE, NALPHA-FMOC-NGAMMA-1-(4,4-DIMETHYL-2,6-DIOXOCYCLOHEX-1-YLIDENE)ETHYL-L-LYSINE, (S)-2-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-6-((1-(4,4-DIMETHYL-2,6-DIOXOCYCLOHEXYLIDENE)ETHYL)AMINO)HEXANOIC ACID, L-LYSINE,N6-[1-(4,4-DIMETHYL-2,6-DIOXOCYCLOHEXYLIDENE)ETHYL]-N2-[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]-, N-ALPHA-(9-FLUORENYLMETHOXYCARBONYL)-N-EPSILON-[1-(4,4-DIMETHYL-2,6-DIOXOCYCLOHEXYLIDENE)ETHYL]-L-LYSINE, N-ALPHA-(9-FLUORENYLMETHYLOXYCARBONYL)-N-EPSILON-(4,4-DIMETHYL-2,6-DIOXOCYCLOHEX-1-YLIDENE)ETHYL-L-LYSINE, N-ALPHA-FMOC-N-EPSILON-1-[(4,4-DIMETHYL-2,6-DIOXOCYCLOHEX-1-YLIDINE)ETHYL]-L-LYSINE

Molecular Formula: C31H36N2O6Molecular Weight: 532.627340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: ZPSRBXWVBNVFTO-VWLOTQADSA-N

• Fmoc-Dap(alloc)-Oh
IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(prop-2-enoxycarbonylamino)propanoic acid | CAS Registry Number: 188970-92-5
Synonyms: Fmoc-Dap(Alloc)-OH, Nalpha-Fmoc-Nbeta-Alloc-L-2,3-diaminopropionic acid, Nbeta-Alloc-Nalpha-Fmoc-L-2,3-diaminopropionic acid, Nbeta-Allyloxycarbonyl-Nalpha-Fmoc-L-2,3-diaminopropionic acid, AmbotzFAA1366, AC1MBST9, SureCN3871700, 47546_ALDRICH, 47546_FLUKA, MolPort-003-725-380, ACT06574, AKOS015892817, AK-49523, AM20030235, FT-0660781, I04-1224, Nalpha-Fmoc-Nbeta-allyloxycarbonyl-L-2,3-diaminopropionic acid, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(prop-2-enoxycarbonylamino)propanoic acid, (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-{[(prop-2-en-1-yloxy)carbonyl]amino}propanoic acid

Molecular Formula: C22H22N2O6Molecular Weight: 410.419880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: MPVGCCAXXFLGIU-IBGZPJMESA-N

• Fmoc-lys(alloc)-OH
IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(prop-2-enoxycarbonylamino)hexanoic acid | CAS Registry Number: 146982-27-6
Synonyms: Fmoc-Lys(Alloc)-OH, FMOC-LYS(ALOC)-OH, AG-D-91668, N-Fmoc-N'-allyoxycarbonyl-L-lysine, Nalpha-Fmoc-Nepsilon-Alloc-D-lysine, Nalpha-Fmoc-Nepsilon-Alloc-L-lysine, Nepsilon-Alloc-Nalpha-Fmoc-D-lysine, Fmoc-D-Lys(Alloc)-OH, Aloc-Lys(Fmoc)-OH, PubChem13153, SureCN178701, 47583_ALDRICH, 72922_ALDRICH, N|A-Fmoc-N|A-Alloc-L-lysine, 47583_FLUKA, 72922_FLUKA, CTK4C5206, MolPort-003-934-197, ACT09539, ANW-41381

Molecular Formula: C25H28N2O6Molecular Weight: 452.499620 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: OJBNDXHENJDCBA-QFIPXVFZSA-N

• Fmoc-Lys(ivDde)-OH
IUPAC Name: (2S)-6-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid | CAS Registry Number: 204777-78-6
Synonyms: Fmoc-Lys(Ddiv)-OH, Fmoc-Lys(IvDde)-OH, N-Fmoc-N'-[1-(4,4-Dimethyl-2,6-dioxocyclohex-1-ylidene)-3-methylbutyl]-L-lysine, Nalpha-Fmoc-Nepsilon-[1-(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)-3-methylbutyl]-L-lysine, SureCN178768, 29207_ALDRICH, 29207_FLUKA, CTK1A1512, MolPort-003-929-341, AKOS015837177, AKOS015895471, AG-E-50128, AK-49549, A7927, ST51052987, I06-1184, N|A-Fmoc-N|A-[1-(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)-3-methylbutyl]-L-lysine, N-a-Fmoc-N-e-1-(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)-3-methylbutyl-L-lysine;Nalpha-Fmoc-Nepsilon-[1-(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)-3-methylbutyl]-L-lysine;Fmoc-lysine(ivdde)-oh;fmoc-lys(ivdde)-OH;Fmoc-Lys(Ddiv)-OH;

Molecular Formula: C34H42N2O6Molecular Weight: 574.707080 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: PYCBVLUBTMHNPW-MHZLTWQESA-N

• Fmoc-Orn(alloc)-Oh
IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(prop-2-enoxycarbonylamino)pentanoic acid | CAS Registry Number: 147290-11-7
Synonyms: Fmoc-Orn(Alloc)-OH, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-(((allyloxy)carbonyl)amino)pentanoic acid, Nalpha-Fmoc-Ndelta-Alloc-L-ornithine, Ndelta-Alloc-Nalpha-Fmoc-L-ornithine, N2-Fmoc-N5-allyloxycarbonyl-L-ornithine, PubChem6308, AC1MBSUC, SureCN119648, 72788_ALDRICH, 72788_FLUKA, CTK8B7878, MolPort-003-725-668, N|A-Alloc-N|A-Fmoc-L-ornithine, N|A-Fmoc-N|A-Alloc-L-ornithine, ANW-58843, AKOS015895496, AK-61222, KB-57350, ST51052996, I06-1198

Molecular Formula: C24H26N2O6Molecular Weight: 438.473040 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: RXLIOYNXBHZZBI-NRFANRHFSA-N

• Fmoc-Orn(Dde)-OH
IUPAC Name: (2S)-5-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid | CAS Registry Number: 269062-80-8
Synonyms: (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl)amino)pentanoic acid, AmbotzFAA1502, SureCN119272, 09766_FLUKA, CTK8C5141, MolPort-003-925-671, Nalpha-Fmoc-Ndelta-Dde-L-ornithine, ANW-74340, AKOS015901450, AK-61253, AM808150, FT-0644179, I14-15345, N-Fmoc-(N'-1-(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl)-L-ornithine, Nalpha-Fmoc-Ndelta-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl-L-ornithine, (2S)-5-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}pentanoic acid, L-Ornithine, N5-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-

Molecular Formula: C30H34N2O6Molecular Weight: 518.600760 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: RSDSRRQRYNCVMT-DEOSSOPVSA-N

• Fmoc-Orn(ivdde)-OH
IUPAC Name: 5-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid

Molecular Formula: C33H40N2O6Molecular Weight: 560.691 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: XSDVRBYPXOEYHM-UHFFFAOYSA-N

• Foretinib
IUPAC Name: 1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | CAS Registry Number: 849217-64-7
Synonyms: XL880, GSK089, GSK1363089, EXEL-2880, XL-880, GSK 1363089, S1111_Selleck, GSK1363089G, XL 880, GSK-1363089, CHEMBL1230609, Foretinib (XL-880), GSK089, EXEL-2880, 849217-64-7, GSK1363089, GSK089, foretinib, EXEL-2880, XL880, 88Z, 937176-80-2, N-[3-Fluoro-4-[[6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinolinyl]oxy]phenyl]-N'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide, EXEL 2880, n-(3-fluoro-4-((6-methoxy-7-(3-(4-morpholinyl)propoxy)-4-quinolinyl)oxy)phenyl)-n'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide, PubChem22993

Molecular Formula: C34H34F2N4O6Molecular Weight: 632.653766 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: CXQHYVUVSFXTMY-UHFFFAOYSA-N

• Formylmethylene triphenylphosphorane
IUPAC Name: 2-tri(phenyl)phosphoranylideneacetaldehyde | CAS Registry Number: 2136-75-6
Synonyms: (Triphenylphosphoranylidene)acetaldehyde, Formylmethylenetriphenylphosphorane, 280933_ALDRICH, (Formylmethylene)triphenylphosphorane, EINECS 218-375-6

Molecular Formula: C20H17OPMolecular Weight: 304.322141 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CQCAYWAIRTVXIY-UHFFFAOYSA-N

• Forskolin
IUPAC Name: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate | CAS Registry Number: 66575-29-9
Synonyms: forskolin, Colforsin, Coleonol, colforsina, colforsine, colforsinum, Boforsin, Ocufors, Adehl, Colforsine [French], Colforsinum [Latin], Colforsina [Spanish], Colforsin [USAN:INN], nchembio.79-comp16, Ambap3655, Colforsin (USAN/INN), forskolin/ rolipram mixture, MolMap_000021, MLS001066384, MLS001333255

Molecular Formula: C22H34O7Molecular Weight: 410.501160 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: OHCQJHSOBUTRHG-KGGHGJDLSA-N

• Fosaprepitant
IUPAC Name: [5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-3-oxo-1H-1,2,4-triazol-2-yl]phosphonic acid | CAS Registry Number: 172673-20-0
Synonyms: L-758298, L-758,298, Phosphonic acid, (3-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl)-, Phosphonic acid, (3-((2-(1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl)-, (2R-(2alpha(R*),3alpha))-

Molecular Formula: C23H22F7N4O6PMolecular Weight: 614.406563 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 15

InChIKey: BARDROPHSZEBKC-OITMNORJSA-N


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