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Profile: Focus Biomolecules was founded by former members of globally recognized BIOMOL. From our industry experience we set out to refine the practices of small molecule based life sciences companies and eliminate the challenges too often found by customers. With more than 24 years in the industry, we offer advanced, high quality reagents and a fresh, customer oriented experience. In addition to our ever expanding portfolio of cutting edge life science reagents, we have unique targeted chemical libraries and expert custom synthetic services. Based in suburban Philadelphia our modern laboratory enables full analytical and synthetic chemical capabilities with distributors found worldwide.

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• Disopyramide
IUPAC Name: 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide | CAS Registry Number: 3737-09-5
Synonyms: disopyramide, Disopiramida, Disopyramidum, Dicorantil, Ritmodan, Rythmodan, Rythmodan P, Searle 703, Prestwick_681, Rythmodan P (TN), Disopyramidum [INN-Latin], Disopyramide Free Base, Disopiramida [INN-Spanish], Spectrum_001008, Prestwick0_000266, Prestwick1_000266, Prestwick2_000266, Prestwick3_000266, Spectrum2_001033, Spectrum3_000404

Molecular Formula: C21H29N3OMolecular Weight: 339.474460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UVTNFZQICZKOEM-UHFFFAOYSA-N

• DL-Propargylglycine
IUPAC Name: 2-aminopent-4-ynoic acid | CAS Registry Number: 64165-64-6
Synonyms: Propargylglycine, Propargyl glycine, D,L-Propargylglycine, 2-Amino-4-pentynoic acid, nchembio.212-comp6, L-2-Amino-4-pentynoic acid, 2-Aminopent-4-ynoic acid, 4-Pentynoic acid, 2-amino-, P7888_SIGMA, AKE-BBV-089945, MolPort-003-959-342, (+-)-2-Amino-4-pentynoic acid, CID95575, NSC21940, BBV-089945, 4-Pentynoic acid, 2-amino-, (+-)-, LS-186007, 50428-03-0, PAG

Molecular Formula: C5H7NO2Molecular Weight: 113.114580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: DGYHPLMPMRKMPD-UHFFFAOYSA-N

• DMAPT
IUPAC Name: (1S,2R,4R,7Z,11S,12S)-12-[(dimethylamino)methyl]-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one | CAS Registry Number: 870677-05-7
Synonyms: Dimethylamino Parthenolide, ZINC169295758

Molecular Formula: C17H27NO3Molecular Weight: 293.407 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: UJNSFDHVIBGEJZ-CMRIBGNTSA-N

• DMNQ
IUPAC Name: 2,3-dimethoxynaphthalene-1,4-dione | CAS Registry Number: 6956-96-3
Synonyms: dmnq, DiMeNQ, 2,3-Dimethoxy-1,4-naphthoquinone, Lopac-D-5439, 2,3-Dimethoxynaphthoquinone, NCIOpen2_003296, Lopac0_000399, D5439_SIGMA, STOCK1N-09172, CID3136, CHEBI:532377, MolPort-002-510-862, 2,3-dimethoxy-1,4-naphthaquinone, 2,3-Dimethoxy[1,4]naphthoquinone, NSC69355, 2,3-dimethoxynaphthalene-1,4-dione, IN1354, NSC 69355, ZINC00518909, 1,4-Naphthalenedione, 2,3-dimethoxy-

Molecular Formula: C12H10O4Molecular Weight: 218.205400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ZEGDFCCYTFPECB-UHFFFAOYSA-N

• DMOG
IUPAC Name: methyl 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetate | CAS Registry Number: 89464-63-1
Synonyms: Dimethyloxallyl glycine, CHEBI:245081, MolPort-000-141-004, CID560326, ZINC02563862, NCGC00163397-01, NCGC00163397-02, NCGC00163397-03, Glycine, N-(methoxyoxoacetyl)-, methyl ester, N-Methoxycarbonylmethyl-oxalamic acid methyl ester, Glycine, N-(methoxyoxoacetyl)-, methyl ester (9CI), Oxamic acid, (carboxymethyl)-, dimethyl ester (7CI), glycine, N-(2-methoxy-1,2-dioxoethyl)-, methyl ester, 2-(methoxycarbonylmethylamino)-2-oxo-acetic acid methyl ester

Molecular Formula: C6H9NO5Molecular Weight: 175.139360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: BNJOZDZCRHCODO-UHFFFAOYSA-N

• DMPO
IUPAC Name: 2,2-dimethyl-1-oxido-3,4-dihydropyrrol-1-ium | CAS Registry Number: 3317-61-1
Synonyms: Lopac-D-5766, Lopac0_000350, D5766_SIGMA, 5,5-Dimethyl-1-pyrroline-N-oxide, CID1774, 5,5-Dimethyl-1-pyrroline N-oxide, ZINC02563972, NCGC00015351-01, NCGC00093786-01, NCGC00093786-02, EU-0100350, S11-0032

Molecular Formula: C6H11NOMolecular Weight: 113.157640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VCUVETGKTILCLC-UHFFFAOYSA-N

• DMPQ 2HCL; 5,7-DIMETHOXY-3-(PYRIDIN-4-YL)QUINOLINE 2HCL
IUPAC Name: 5,7-dimethoxy-3-pyridin-4-ylquinoline | CAS Registry Number: 137206-97-4
Synonyms: Tocris-1222, 5,7-Dmpq, Bio1_000429, CID3139, CHEBI:209334, Bio1_000918, Bio1_001407, NCGC00025053-01, 5,7-Dimethoxy-3-(4-pyridinyl)quinoline, 5,7-Dimethoxy-3-pyridin-4-yl-quinoline

Molecular Formula: C16H14N2O2Molecular Weight: 266.294560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: HBXDLZBPKJEWHZ-UHFFFAOYSA-N

• Docetaxel
Synonyms: docetaxel, Taxotere, Docetaxol, Docetaxel anhydrous, nchembio853-comp8, Docetaxel, Trihydrate, nchembio.2007.34-comp7, 01885_FLUKA, XRP-6976L, ANX-514, SDP-014, DB01248, NSC-628503, RP-56976, SL-00678, C11231, TXL, (2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (aR,bS)-b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxybenzenepropanoate

Molecular Formula: C43H53NO14Molecular Weight: 807.879220 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 14

InChIKey: ZDZOTLJHXYCWBA-VCVYQWHSSA-N

• DOCOSAHEXAENOYL ETHANOLAMIDE
IUPAC Name: N-(2-hydroxyethyl)docosa-4,7,10,13,16,19-hexaenamide | CAS Registry Number: 162758-94-3
Synonyms: Docosahexaenoyl Ethanolamide, CTK8F1281

Molecular Formula: C24H37NO2Molecular Weight: 371.556080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GEEHOLRSGZPBSM-UHFFFAOYSA-N

• Dofetilide
IUPAC Name: N-[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]methanesulfonamide | CAS Registry Number: 115256-11-6
Synonyms: Tikosyn, Dofetilida, Dofetilidum, Xelide, Tikosyn (TN), Dofetilidum [INN-Latin], Dofetilida [INN-Spanish], 1-MSPMPE, Dofetilide [USAN:BAN:INN], MLS000759442, MLS001424185, Dofetilide (JAN/USAN/INN), CHEBI:4681, STOCK6S-54336, C19H27N3O5S2, CID71329, DB00204, UK 68,798, NCGC00164549-01, CPD000466333

Molecular Formula: C19H27N3O5S2Molecular Weight: 441.564780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: IXTMWRCNAAVVAI-UHFFFAOYSA-N

• Doramapimod
IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea | CAS Registry Number: 285983-48-4
Synonyms: nchembio.162-comp7, BIRB-796, 1kv2, UNII-HO1A8B3YVV, Doramapimod (USAN/INN), BIRB 796, CID156422, DB03044, D03736, 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, B96, 1-(3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl)-3-(4-(2-(morpholin-4-yl)ethoxy)naphthalen-1-yl)urea, 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3(4-(2-morpholin-4-yl-ethoxy)naphthalen-1-yl)urea, 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea, Urea, N-(3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl)-N'-(4-(2-(4-morpholinyl)ethoxy)-1-naphthalenyl)-

Molecular Formula: C31H37N5O3Molecular Weight: 527.657180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MVCOAUNKQVWQHZ-UHFFFAOYSA-N

• Dorsomorphin
IUPAC Name: 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine | CAS Registry Number: 866405-64-3
Synonyms: dorsomorphin, Compound C, AMPK Inhibitor, Compound C, BML-275, 6-(4-(2-(Piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine, InSolution™ AMPK Inhibitor, Compound C, 6-[4-(2-Piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, 4-(6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine, 6-[4-(2-Piperidin-1-yl-ethoxy)-phenyl)]-3-pyridin-4-yl-pyrrazolo[1,5-a]-pyrimidine, AMPK Inhibitor, SureCN463155, AGN-PC-00AUR7, P5499_SIGMA, BML275, CHEMBL478629, QCR-60, CTK5J7339, CHEBI:589620, HMS3229A20, ANW-67560

Molecular Formula: C24H25N5OMolecular Weight: 399.488200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: XHBVYDAKJHETMP-UHFFFAOYSA-N

• Dovitinib
IUPAC Name: 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one | CAS Registry Number: 405169-16-6
Synonyms: Kinome_1513, SureCN172687, SureCN949705, SureCN9975396, SureCN10330209, CTK4I3259, AG-F-43728, NCGC00249685-01, NCGC00249685-02, 196472-EP2270000A1, 2(1H)-Quinolinone,4-amino-5-fluoro-3-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-, 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-quinolin-2-one, 2(1H)-Quinolinone,4-amino-5-fluoro-3-[5-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]- (9CI);4-Amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one;Dovitinib, 4-AMINO-5-FLUORO-3-[6-(4-METHYLPIPERAZIN-1-YL)-1H-BENZIMIDAZOL-2-YL]QUINOLIN-2(1H)-ONE

Molecular Formula: C21H21FN6OMolecular Weight: 392.429443 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: KCOYQXZDFIIGCY-UHFFFAOYSA-N

• Doxorubicin hydrochloride
IUPAC Name: (7S,9S)-7-[(2R,4S,5S,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 hydrochloride | CAS Registry Number: 25316-40-9
Synonyms: Adriamycin, Adriacin, Doxil, Rubex, Doxorubicin Hydrochloride, Adriamycin (TN), Adriacin (TN), Prestwick_188, Doxil (TN), Rubex (TN), ADRIAMYCIN, HYDROCHLORIDE, MLS000028393, MLS000049969, MLS000049970, MLS000049971, MLS000070047, MLS000392861, MLS000392871, MLS000392881, MLS000392891

Molecular Formula: C27H30ClNO11Molecular Weight: 579.980200 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 12

InChIKey: MWWSFMDVAYGXBV-RUELKSSGSA-N

• Dynasore
IUPAC Name: 3-hydroxy-N'-[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]naphthalene-2-carbohydrazide | CAS Registry Number: 304448-55-3
Synonyms: 3-Hydroxy-naphthalene-2-carboxylic acid (3,4-dihydroxy-benzylidene)-hydrazide, AC1NX0EF, ARONIS018918, CHEMBL1209885, Dynasore|304448-55-3, QCR-252, CHEBI:783692, MolPort-001-631-927, STK028329, AKOS000486035, CS-1340, LS41105, MCULE-2484858584, UPCMLD0ENAT5920180:001, BAS 00165489, HY-15304, ST036482, T4110699, T6724739, 3-Hydroxynaphthalene-2-carboxylicacid(3,4-dihydroxybenzylidene)hydrazide

Molecular Formula: C18H14N2O4Molecular Weight: 322.314760 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: NRQJUIHYFNUXFT-ZHACJKMWSA-N

• E-64
IUPAC Name: (2R,3R)-3-[[(2S)-1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid | CAS Registry Number: 66701-25-5
Synonyms: e-64, Thiol protease inhibitor, Lopac-E-3132, MLS000069547, MLS002153455, E3132_SIGMA, 45370_FLUKA, AIDS059870, AIDS-059870, CID439487, NCGC00015406-01, NCGC00015406-02, SMR000058838, C01341, trans-Epoxysuccinyl-L-leucylamido(4-guanidino)butane, L-trans-3-Carboxyoxiran-2-carbonyl-L-leucylagmatine, N-(trans-Epoxysuccinyl)-L-leucine 4-guanidinobutylamide

Molecular Formula: C15H27N5O5Molecular Weight: 357.405380 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 8

InChIKey: LTLYEAJONXGNFG-HBNTYKKESA-N

• Ebselen
IUPAC Name: 2-phenyl-1,2-benzoselenazol-3-one | CAS Registry Number: 60940-34-3
Synonyms: ebselen, Harmokisane, Ebselene, Ebseleno, Ebselenum, Ebselene [French], Ebselenum [Latin], Ebseleno [Spanish], Ebselen [INN], Prestwick_1057, nchembio.109-comp1, C13H9NOSe, Prestwick0_000740, Prestwick1_000740, Prestwick2_000740, Prestwick3_000740, Spectrum2_001441, Spectrum3_000799, Spectrum4_000445, Spectrum5_001713

Molecular Formula: C13H9NOSeMolecular Weight: 274.176660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DYEFUKCXAQOFHX-UHFFFAOYSA-N

• Echinomycin
IUPAC Name: N-[2,4,12,15,17,25-hexamethyl-29-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-7-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-20-yl]quinoxaline-2-carboxamide | CAS Registry Number: 512-64-1
Synonyms: Quinomycin A, Levomycin, Echinomycin A, S-426-S (Lepetit), Quinomycin A (9CI), Neuro_000224, MLS002702903, SK 302B, Antibiotic C638-8, crystalline, CID3197, CHEBI:351777, NSC526417, NSC 526417, NSC13502, BRN 0078671, C51H64N12O12S2, LS-161, NSC-526417, SMR001566720, C 6388

Molecular Formula: C51H64N12O12S2Molecular Weight: 1101.257060 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 16

InChIKey: AUJXLBOHYWTPFV-UHFFFAOYSA-N

• Edaravone
IUPAC Name: 5-methyl-2-phenyl-4H-pyrazol-3-one | CAS Registry Number: 89-25-8
Synonyms: edaravone, Norphenazone, Radicut, Norantipyrine, Developer Z, edarabone, Methylphenylpyrazolone, Phenylmethylpyrazolone, C.I. Developer 1, CI Developer 1, Phenyl methyl pyrazolone, Radicut (TN), 1-Phenyl-3-methyl-5-pyrazolone, 1-Phenyl-3-methylpyrazolone, Spectrum_000267, Tocris-0786, MCI-186, Edaravone (JAN/INN), 3-Methyl-1-phenyl-5-pyrazolone, Maybridge1_005738

Molecular Formula: C10H10N2OMolecular Weight: 174.199200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QELUYTUMUWHWMC-UHFFFAOYSA-N

• Efaroxan hydrochloride
IUPAC Name: 2-[(2R)-2-ethyl-3H-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazol-3-ium | CAS Registry Number: 89197-00-2
Synonyms: ZINC01842775

Molecular Formula: C13H17N2O+Molecular Weight: 217.286880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: RATZLMXRALDSJW-CYBMUJFWSA-O

• Eflornithine hydrochloride hydrate
IUPAC Name: 2,5-diamino-2-(difluoromethyl)pentanoic acid hydrate hydrochloride | CAS Registry Number: 96020-91-6
Synonyms: Ornidyl, dfmo, Vaniqa, Ornidyl (TN), EFLORNITHINE, EFLORNITHINE HYDROCHLORIDE, C6H12F2N2O2.HCl.H2O, Eflornithine hydrochloride (USAN), Eflornithine hydrochloride [USAN], RMI-71782, MDL-71782A, CID441361, Eflornithine hydrochloride monohydrate, MDL 71,782 A, BMS 203522, alpha-Difluoromethylornithine hydrochloride, LS-178282, D00829, DL-alpha-Difluoromethylornithine, Hydrochloride, 2-(Difluoromethyl)-DL-ornithine monohydrochloride, monohydrate

Molecular Formula: C6H15ClF2N2O3Molecular Weight: 236.644706 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: FJPAMFNRCFEGSD-UHFFFAOYSA-N

• Eicosapentaenoic Acid
IUPAC Name: (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid | CAS Registry Number: 10417-94-4
Synonyms: Timnodonic acid, Icosapent, Eicosapentaenoic acid, Icosapento, Icosapentum, Icosapentaenoic acid, 3gwx, C20:5 omega-3, Icosapentum [INN-Latin], Icosapento [INN-Spanish], CCRIS 3279, BSPBio_001328, E2011_SIGMA, E7006_SIGMA, cis-5,8,11,14,17-Eicosapentaenoic acid, 44864_FLUKA, CHEBI:28364, AIDS082784, AIDS-082784, 5,8,11,14,17-EICOSAPENTAENOIC ACID

Molecular Formula: C20H30O2Molecular Weight: 302.451000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JAZBEHYOTPTENJ-JLNKQSITSA-N

• Elastatinal
IUPAC Name: (2S)-2-[[(1S)-2-[[(2S)-5-amino-1,5-dioxo-1-[[(2S)-1-oxopropan-2-yl]amino]pentan-2-yl]amino]-1-[(6S)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid | CAS Registry Number: 51798-45-9
Synonyms: elastatinal, EINECS 257-426-7, CID91645, BRN 0873543, LS-71756, L-2-(2-Amino-1,4,5,6-tetrahydro-4-pyrimidinyl)-N-(((1-carboxy-3-methylbutyl)amino)carbonyl)glycyl-N1-(1-methyl-2-oxoethyl)-L-glutamamide, stereoisomer, L-Glutamamide, L-2-(2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl-N-(((1-carboxy-3-methylbutyl)amino)carbonyl)glycyl-N(sup 1)-(1-methyl-2-oxoethyl)-, stereoisomer

Molecular Formula: C21H36N8O7Molecular Weight: 512.559940 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 10

InChIKey: IJWCGVPEDDQUDE-YGJAXBLXSA-N

• Embelin
IUPAC Name: 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione | CAS Registry Number: 550-24-3
Synonyms: EMBELIN, Emberine, Embelic acid, Potassium embelate, Embelin, Embelia ribes, Spectrum_001513, Tocris-2156, SpecPlus_000501, XIAP inhibitor, Embelin, Spectrum3_001931, Spectrum4_001760, Spectrum5_000620, BSPBio_003531, KBioGR_002240, KBioSS_001993, MLS000563189, NSC91874, BIDD:ER0529, DivK1c_006597, E1406_SIGMA

Molecular Formula: C17H26O4Molecular Weight: 294.385940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: IRSFLDGTOHBADP-UHFFFAOYSA-N

• Eniluracil
IUPAC Name: 5-ethynyl-1H-pyrimidine-2,4-dione | CAS Registry Number: 59989-18-3
Synonyms: 5-ETHYNYLURACIL, Compound 776C, Eniluracil [USAN], Eniluracil (USAN/INN), UNII-2E2W0W5XIU, 5-EU, C6H4N2O2, GW776C85, CHEBI:383293, AIDS225909, AIDS-225909, CID43157, 5-ethynyl-1H-pyrimidine-2,4-dione, GW-776, NSC687296, ZINC00005467, ADH-300004, 2,4(1H,3H)-Pyrimidinedione, 5-ethynyl-, 776C85, LS-176055

Molecular Formula: C6H4N2O2Molecular Weight: 136.108160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JOZGNYDSEBIJDH-UHFFFAOYSA-N

• Entacapone
IUPAC Name: (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide | CAS Registry Number: 130929-57-6
Synonyms: Comtan, ENTACAPONE, Entacaponum, Comtess, Entacapona, Comtan (TN), Entacaponum [INN-Latin], Entacapona [INN-Spanish], Entacapone [USAN:INN], BIDD:GT0026, Entacapone (JAN/USAN/INN), UNII-4975G9NM6T, OR-611, CHEBI:4798, COM-998, MolPort-003-847-054, OR 611, C14H15N3O5, HMS2089O16, AC-393

Molecular Formula: C14H15N3O5Molecular Weight: 305.286000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: JRURYQJSLYLRLN-BJMVGYQFSA-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

• 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 hydrochloride
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 hydrochloride | CAS Registry Number: 56390-09-1
Synonyms: Ellence, Pharmorubicin, Farmorubicin, Epidoxorubicin, Farmorubicina, Pidorubicin, 4'-epi-Adriamycin, Ellence (TN), 4'-epi-Doxorubicin, Ambap5427, E-ADM, Epidoxorubicin hydrochloride, 4'-epi-DX, CCRIS 4477, 4'-Epidoxorubicin hydrochloride, 4'-epi-Adriamycin hydrochloride, MLS001401404, IMI-28, EINECS 260-145-2, Epirubicin hydrochloride [USAN:JAN]

Molecular Formula: C27H30ClNO11Molecular Weight: 579.980200 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 12

InChIKey: MWWSFMDVAYGXBV-FGBSZODSSA-N

• Epothilone B
IUPAC Name: (1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-1,5,7,9,9-pentamethyl-14-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione | CAS Registry Number: 152044-54-7
Synonyms: Patupilone, (-)-Epothilone B, Epothilon B, EpoB, nchembio853-comp4, E2656_SIGMA, EPO 906, EPO906, EPO-906, CHEBI:252995, CID448013, LMPK04000041, NSC684363, NCGC00181131-01, LS-62193, C12154, 4,17-Dioxabicyclo(1410)heptadecane-5,9-dione, 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-((1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl)-, (1S,3S,7S,10R,11S,12S,16R)-, 4,17-Dioxabicyclo(1410)heptadecane-5,9-dione, 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-(1-methyl-2-(2-methyl-4-thiazolyl)ethenyl)-, (1S-(1R*,3R*(E),7R*,10S*,11R*,12R*,16S*))-, EPB, (1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12,16-pentamethyl-3-((1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl)-4,17-dioxabicyclo(14.1.0)heptadecane-5,9-dione

Molecular Formula: C27H41NO6SMolecular Weight: 507.682540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: QXRSDHAAWVKZLJ-PVYNADRNSA-N

• Epoxomicin
IUPAC Name: (2S,3S)-2-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(2S,3R)-3-hydroxy-2-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]butanoyl]-3-methylpentanamide | CAS Registry Number: 134381-21-8
Synonyms: epoxomicin, CHEBI:447838, MolPort-006-822-455, CID3035402, CID 3035402, C078846, (2S,3S)-2-[(2S,3S)-2-(acetyl-methyl-amino)-3-methyl-pentanoylamino]-3-methyl-pentanoic acid {(2S,3R)-3-hydroxy-2-[3-methyl-1-((R)-2-methyl-oxiranecarbonyl)-butylamino]-butyryl}-amide, L-Threoninamide, N-acetyl-N-methyl-L-isoleucyl-L-isoleucyl-N-((1S)-3-methyl-1-(((2R)-2-methyloxiranyl)carbonyl)butyl)-, N-Acetyl-N-methyl-L-isoleucyl-L-isoleucyl-N-(3-methyl-1-((2-methyloxiranyl)carbonyl)butyl)-L-threoninamide

Molecular Formula: C28H50N4O7Molecular Weight: 554.719200 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: ZWCBKZGIPPDRLY-TXLQCSLMSA-N

• Ergothioneine
IUPAC Name: [1-hydroxy-1-oxo-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]-trimethylazanium | CAS Registry Number: 497-30-3
Synonyms: Sympectothion, Thiasine, Thioeine, Thioneine, L-Ergothioneine, l-Thioneine, ERGOTHIONEINE, Thiolhistidine-betaine, THIONEINE (D), L-Ergothionine hydrochloride, USAF B-26, NSC7175, NSC118378, CID3032312, Histidine, 2-mercapto-, trimethylbetaine, Histidine, 2-mercapto-N,N-dimethyl-, betaine, 3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethyl-5-azanyl)propanoic acid, Ammonium, [1-carboxy-2-(2-thioxo-4-imidazolin-4-yl)ethyl]trimethyl-, hydroxide, inner salt, 1H-Imidazole-4-ethanaminium, .alpha.-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-, hydroxide, inner salt, (S)-, 1H-Imidazole-4-ethanaminium, .alpha.-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-, hydroxide, inner salt, monohydrochloride, (S)-

Molecular Formula: C9H16N3O2S+Molecular Weight: 230.307240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: SSISHJJTAXXQAX-UHFFFAOYSA-O

• 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

• Ethopropazine Hydrochloride
IUPAC Name: N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine hydrochloride | CAS Registry Number: 1094-08-2
Synonyms: Parsidol, Parphezein, Lysivane, Pardisol, Parfezin, Dibutil, Parphezin, Parkin, Ethopropazine hydrochloride, Parsidol (VAN), Profenamine hydrochloride, Isothazine hydrochloride, Lysivane hydrochloride, Parsidol (TN), Prestwick_195, Parkin (TN), Parsidol hydrochloride, Profenamine monohydrochloride, Parsidol monohydrochloride, C19H24N2S.HCl

Molecular Formula: C19H25ClN2SMolecular Weight: 348.933200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VXPCQISYVPFYRK-UHFFFAOYSA-N

• Etoposide
IUPAC Name: (5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one | CAS Registry Number: 33419-42-0
Synonyms: etoposide, VePesid, Lastet, trans-Etoposide, Zuyeyidal, Toposar, (-)-Etoposide, Vepesid J, Vepeside, Eposide, Etopol, Etosid, Etoposide (VP16), Etoposidum [INN-Latin], EPEG, Etoposido [INN-Spanish], VP 16 (pharmaceutical), Ambap1061, Etopophos (phosphate salt), VePESID (TN)

Molecular Formula: C29H32O13Molecular Weight: 588.556580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 13

InChIKey: VJJPUSNTGOMMGY-MRVIYFEKSA-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

• Evodiamine
Synonyms: Evodiamine, Evodia rutaecarpa, BB_NC-1930, CID442088, ZINC00898159, C09187

Molecular Formula: C19H17N3OMolecular Weight: 303.357780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: TXDUTHBFYKGSAH-SFHVURJKSA-N

• Fascaplysin chloride
Synonyms: Fascaplysine, Fascaplisine, Fascaplysin, Fascaplysin, Synthetic, CHEBI:530612, NSC622398, CID73292, LS-184320, Pyrido(1,2a:3,4-b')diindol-5-ium, 12,13-dihydro-13-oxo-, chloride, Pyrido[1,2-a:3,4-b']diindol-5-ium, 12,13-dihydro-13-oxo-,chloride, Pyrido[1,2-a:3,4-b']diindol-5-ium,12,13-dihydro-13-oxo-, chloride

Molecular Formula: C18H11ClN2OMolecular Weight: 306.745740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PWUOOJVYZQILBG-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

• Fatostatin
IUPAC Name: 4-(4-methylphenyl)-2-(2-propylpyridin-4-yl)-1,3-thiazole;hydrobromide | CAS Registry Number: 125256-00-0
Synonyms: SMR000221636, 2-Propyl-4-(4-p-tolyl-thiazol-2-yl)-pyridine, Fatostatin A, AC1ME8UF, Ambcb5533803, MLS000332366, MLS003593148, CHEMBL1455549, MolPort-000-822-925, AKOS024260295, MCULE-2893287256, AK153140, FT-0668473, MLS-0221672.0001, 2-(2-Propylpyridin-4-yl)-4-(p-tolyl)thiazole hydrobromide, 4-[4-(4-Methylphenyl)-2-thiazolyl]-2-propylpyridine hydrobromide, 4-(4-methylphenyl)-2-(2-propylpyridin-4-yl)-1,3-thiazole hydrobromide, 298197-04-3

Molecular Formula: C18H19BrN2SMolecular Weight: 375.325860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RJCFNQZVFUMORB-UHFFFAOYSA-N

• FCCP
IUPAC Name: 2-[[4-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile | CAS Registry Number: 370-86-5
Synonyms: Maybridge1_007693, BSPBio_001069, KBioGR_000409, KBioSS_000409, C2920_SIGMA, EINECS 206-730-8, KBio2_000409, KBio2_002977, KBio2_005545, KBio3_000777, KBio3_000778, CID3330, Bio1_000432, Bio1_000921, Bio1_001410, Bio2_000365, Bio2_000845, SEW04952, BRN 4693268, ZINC00110861

Molecular Formula: C10H5F3N4OMolecular Weight: 254.168110 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: BMZRVOVNUMQTIN-UHFFFAOYSA-N

• Felodipine
IUPAC Name: 3-O-ethyl 5-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 72509-76-3
Synonyms: felodipine, Plendil, Perfudal, Munobal, Flodil, Modip, Splendil, Renedil, Prevex, Hydac, Agon, dl-Felodipine, Felogard, Feloday, Penedil, Preslow, Lexxel, Munobal Retard, Plendil Retard, Plendil Depottab

Molecular Formula: C18H19Cl2NO4Molecular Weight: 384.253760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: RZTAMFZIAATZDJ-UHFFFAOYSA-N

• Ferrostatin-1
IUPAC Name: ethyl 3-amino-4-(cyclohexylamino)benzoate | CAS Registry Number: 347174-05-4
Synonyms: Ethyl 3-amino-4-(cyclohexylamino)benzoate, Ferrostatin 1, Fer-1, AC1N3P2P, SCHEMBL2032512, MolPort-002-129-751, UJHBVMHOBZBWMX-UHFFFAOYSA-N, IN2248, ZINC00216435, AKOS003388952, MCULE-7767938055, ethyl 3-amino-4-cyclohexylaminobenzoate, AJ-17989, AK-66356, TR-069949, R9944, ST45002378, ST50438366, 3-amino-4-cyclohexylaminobenzoic acid ethyl ester, 3-Amino-4-cyclohexylaminobenzoic acid, ethyl ester

Molecular Formula: C15H22N2O2Molecular Weight: 262.347380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: UJHBVMHOBZBWMX-UHFFFAOYSA-N

• FH535
IUPAC Name: 2,5-dichloro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide | CAS Registry Number: 108409-83-2
Synonyms: STK079761, 2,5-dichloro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide, ZINC04662683, AC1MR7XJ, CBMicro_011295, CHEMBL2363137, CTK8E8253, MolPort-002-942-252, SMSF0005619, beta-Catenin/Tcf Inhibitor, FH535, AKOS003980135, CB14399, CCG-208119, MCULE-8478896855, BIM-0011242.P001, FT-0672020, N-(2-Methyl-4-nitrophenyl)-2,5-dichlorobenzenesulfonamide

Molecular Formula: C13H10Cl2N2O4SMolecular Weight: 361.200500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: AXNUEXXEQGQWPA-UHFFFAOYSA-N

• FICZ
IUPAC Name: indolo[3,2-b]carbazole-12-carbaldehyde | CAS Registry Number: 172922-91-7
Synonyms: Indolo[3,2-b]carbazole-6-carbaldehyde, ANW-57186, AKOS015837457, AG-E-22326, AK-62546, KB-82957, FT-0678209, I10-1142

Molecular Formula: C19H10N2OMolecular Weight: 282.295500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OTWFDHQTFRXSAK-UHFFFAOYSA-N

• Fingolimod hydrochloride
IUPAC Name: 2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol hydrochloride | CAS Registry Number: 162359-56-0
Synonyms: Fty-720, Fty 720, FTY720, C19H33NO2.HCl, FTY-720A, Fingolimod hydrochloride [USAN], CID107969, Fingolimod hydrochloride (JAN/USAN), IN1328, LS-120139, D04187, 1,3-Propanediol, 2-amino-2-(2-(4-octylphenyl)ethyl)-, hydrochloride, 2-Amino-2-(2-(4-octylphenyl)ethyl)-1,3-propanediol hydrochloride, 2-Amino-2-(2-(4-octylphenyl)ethyl)propane-1,3-diol, HCl

Molecular Formula: C19H34ClNO2Molecular Weight: 343.931760 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: SWZTYAVBMYWFGS-UHFFFAOYSA-N

• Flavopiridol hydrochloride
IUPAC Name: 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one hydrochloride | CAS Registry Number: 131740-09-5
Synonyms: Alvocidib, Alvocidib (USAN/INN), F3055_SIGMA, NSC-649890, D02880, L-86-8276, (-)-2-(2-Chlorophenyl)-5,7-dihydroxy-8-[(3s,4r)-3-hydroxy-1-methyl-4-piperidinyl]-4h-1-benzopyran-4-one hydrochloride

Molecular Formula: C21H21Cl2NO5Molecular Weight: 438.301140 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: LGMSNQNWOCSPIK-LWHGMNCYSA-N

• Flecainide acetate
IUPAC Name: acetic acid; N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide | CAS Registry Number: 54143-56-5
Synonyms: Tambocor, Apocard, Tambocor (TN), Flecainide acetate salt, FLECAINIDE MONOACETATE, Flecainide acetate [USAN:JAN], MLS000069675, MLS001148177, F6777_SIGMA, Flecainide acetate (JAN/USP), EINECS 258-997-5, R-818, LS-7398, NCGC00093934-01, NCGC00093934-02, R 818, SMR000058451, EU-0100546, D00638, E-0735

Molecular Formula: C19H24F6N2O5Molecular Weight: 474.394679 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 12

InChIKey: RKXNZRPQSOPPRN-UHFFFAOYSA-N

• FLI-06
IUPAC Name: cyclohexyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate | CAS Registry Number: 313967-18-9
Synonyms: STK368879, cyclohexyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, AC1MIXAW, BAS 00380830, Oprea1_143746, Oprea1_499413, MolPort-001-928-169, AKOS000650664, MCULE-5112819342, ST50001800, S7399,313967-18-9, cyclohexyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,6,7,8-pentahydroquinoli ne-3-carboxylate, cyclohexyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate

Molecular Formula: C25H30N2O5Molecular Weight: 438.516100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: SWWVFYHSSOWZMF-UHFFFAOYSA-N


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