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1 to 50 of 117 Products/Chemicals (Click for related suppliers)  Page: [1] 2 3 >> Next 50 Results
• Alarelin
IUPAC Name: acetic acid; N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide | CAS Registry Number: 79561-22-1
Synonyms: GnRHa cpd, LHRH-A, Ala(6)-gly(10)-gnrh, 6-D-Ala-10-D-gly-LHRH-ethylamide, LHRH, ala(6)-gly(10)-ethylamide-, LHRH, alanine(6)-glycine(10)-ethylamide-, LS-88255, 10-Des-gly,6-(D-ala)-LHRH ethylamide, acetate salt, des-Gly(sup 10),(D-Ala(sup 6))-LHRH-ethylamide, C083781, Luteinizing hormone-releasing factor(pig), 6-D-alanine-9-(N-ethyl-L-prolinamide)-10-deglycinamide-, diacetate (salt)

Molecular Formula: C60H86N16O16Molecular Weight: 1287.422440 [g/mol]
H-Bond Donor: 17H-Bond Acceptor: 22

InChIKey: DPWSRXJWCYEGIV-CWMZTGDLSA-N

• Alvimopan
IUPAC Name: 2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid | CAS Registry Number: 156053-89-3
Synonyms: Alvimopan anhydrous, UNII-Q153V49P3Z, CHEBI:535293, 170098-38-1 (dihydrate), CID5488548, LY246736, trans-3,4-dimethyl-4-(3-hydroxyphenyl) piperidine, 2-((S)-2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanamido)acetic acid, Glycine, N-((2S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl)methyl)-1-oxo-3-phenylpropyl)-

Molecular Formula: C25H32N2O4Molecular Weight: 424.532580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: UPNUIXSCZBYVBB-JVFUWBCBSA-N

• Asenapine
Synonyms: Org 5222, Org-5222, EINECS 265-829-4, CID163091, PDSP1_001600, PDSP2_001584, 5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz(2,3-6,7)oxepino(4,5-c)pyrrole, trans-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz(2,3:6,7)oxepino(4,5-c)pyrrole

Molecular Formula: C17H16ClNOMolecular Weight: 285.768040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VSWBSWWIRNCQIJ-HUUCEWRRSA-N

• Benzenepropanoic acid, 4-hydroxy-, [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester
IUPAC Name: [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-(4-hydroxyphenyl)propanoate | CAS Registry Number: 144256-11-1
Synonyms: (S)-(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-(4-hydroxyphenyl)propanoate, CTK8B6363, ANW-53344, ZINC34439362, AKOS015918328, AK-93567, BD230951, KB-210524, ST51055789, I14-8156, ((S)-2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-(4-hydroxyphenyl)propanoate

Molecular Formula: C15H20O5Molecular Weight: 280.316300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: TWMFOGUTFPLVQZ-CYBMUJFWSA-N

• Bisoprolol fumarate
IUPAC Name: (E)-but-2-enedioic acid; 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol; 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol | CAS Registry Number: 104344-23-2
Synonyms: Zebeta, Bisobloc, Bisomerck, Maintate, Euradal, Fondril, Monocor, Concor, Soprol, Emcor, Godal, Biso-Puren, Concor Plus Forte, Zebeta (TN), Bisoprolol hemifumarate, Bisoprolol hemifumarate salt, B2185_SIGMA, Bisoprolol fumarate (JAN/USP), Bisoprolol fumarate [USAN:JAN], EMD 33512

Molecular Formula: C40H66N2O12Molecular Weight: 766.958240 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 14

InChIKey: VMDFASMUILANOL-WXXKFALUSA-N

• Bivalirudin
Synonyms: Angiomax, Hirulog, Hirulog-1, Angiomax (TN), Bivalirudin (USAN/INN), Bivalirudin [USAN:BAN:INN], C9H11NO.C2H6.CH4, BG8967, BG-8967, DB00006, DB02351, LS-172701, D03136, Phe-Pro-Arg-Pro-(Gly)4 desulfato-Tyr63'-hirugen, Phe-Pro-Arg-Pro-(Gly)4-desulfohirudin-(53-64), D-Phenylalanyl-L-prolyl-L-arginyl-L-prolylglycylglycylglycylglycyl-L-asparaginylglycyl-L-alpha-aspartyl-L-phenylalanyl-L-alpha-glutamyl-L-alpha-glutamyl-L-isoleucyl-L-prolyl-L-alpha-glutamyl-L-alpha-glutamyl-L-tyrosyl-L-leucine, L-Leucine, D-phenylalanyl-L-prolyl-L-arginyl-L-prolylglycylglycylglycylglycyl-L-asparaginylglycyl-L-alpha-aspartyl-L-phenylalanyl-L-alpha-glutamyl-L-alpha-glutamyl-L-isoleucyl-L-prolyl-L-alpha-glutamyl-L-alpha-glutamyl-L-tyrosyl-, Phe-Pro-Arg-Pro-(Gly)4-Asn-Gly-Asp-Phe-Glu-Glu-Ile-Pro-Glu-Glu-Tyr-Leu, (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[2-[[2-[[2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-cyclohexylpropanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid

Molecular Formula: C98H138N24O33Molecular Weight: 2180.285320 [g/mol]
H-Bond Donor: 28H-Bond Acceptor: 37

InChIKey: OIRCOABEOLEUMC-GEJPAHFPSA-N

• Buserelin
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide | CAS Registry Number: 57982-77-1
Synonyms: Tiloryth, BUSERELIN, Buserelin (INN), Tiloryth (TN), CID50225, NCGC00181295-01, D07259

Molecular Formula: C60H86N16O13Molecular Weight: 1239.424240 [g/mol]
H-Bond Donor: 15H-Bond Acceptor: 19

InChIKey: CUWODFFVMXJOKD-UVLQAERKSA-N

• Calcium Folinate
IUPAC Name: calcium (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate | CAS Registry Number: 1492-18-8
Synonyms: Wellcovorin, calcium folinate, Lederfoline, Calcium leucovorin, Uzel, LEUCOVORIN CALCIUM, Folinate-SF Calcium, Wellcovorin (TN), Prestwick_224, Folinic acid calcium salt, Leucovorin calcium salt, Calcium citrovorum factor, Uzel (TN), Leucovorin Calcium [USAN], Calcii folinas [INN-Latin], Leucovorin calcium (USP), Calcium folinate (JP15), Folinic acid-SF, calcium salt, Calcium 5-formyltetrahydrofolate, Folinato calcico [INN-Spanish]

Molecular Formula: C20H21CaN7O7Molecular Weight: 511.501440 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 11

InChIKey: KVUAALJSMIVURS-ZEDZUCNESA-L

• Clomiphene Citrate
IUPAC Name: 2-[4-[(E)-2-chloro-1,2-di(phenyl)ethenyl]phenoxy]-N,N-diethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid | CAS Registry Number: 50-41-9
Synonyms: Serophene, Clomid, Clomifene citrate, Serophene (TN), Enclomiphene citrate, Prestwick_757, Clomid (TN), CLOMIPHENE CITRATE, trans-Clomifene citrate, trans-Clomiphene citrate, Clomiphene citrate (USP), Clomiphene citrate (Z,E), C26H28ClNO, Clomifene citrate (JP15), MLS000069760, (E)-isomer, citrate (1:1), SMR000058740, LS-157238, D00962, Triethylamine, 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)-, citrate, (E)-

Molecular Formula: C32H36ClNO8Molecular Weight: 598.083140 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 9

InChIKey: PYTMYKVIJXPNBD-BTKVJIOYSA-N

• Cyclophosphamide monohydrate
IUPAC Name: N,N-bis(2-chloroethyl)-1-oxo-6-oxa-2-aza-1$l^{5}-phosphacyclohexan-1-amine hydrate | CAS Registry Number: 6055-19-2
Synonyms: Cytoxan, cyclophosphamide, Neosar, Cytoxan hydrate, Endoxan monohydrate, Cyclophosphamide hydrate, Lyophilized Cytoxan, Ciclophosphamide hydrat, Prestwick_137, Cytoxan (TN), Neosar (TN), Cyclophosphamide (USP), Cyclophosphamide (hydrated), CCRIS 7469, MLS001306483, C7397_SIGMA, SPECTRUM1500213, C0768_SIAL, C7H15Cl2N2O2P.H2O, alkylating agent: crosslinks DNA

Molecular Formula: C7H17Cl2N2O3PMolecular Weight: 279.101241 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: PWOQRKCAHTVFLB-UHFFFAOYSA-N

• Darifenacin
IUPAC Name: 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide hydrobromide | CAS Registry Number: 133099-07-7
Synonyms: Enablex, Emselex, Darifenacin hydrobromide, Enablex (TN), UK 88525-04 hydrobromide, CID444030, Darifenacin hydrobromide (JAN/USAN), UK-88525, LS-186532, UK-88525-04, D01699, 3-Pyrrolidineacetamide, 1-(2-(2,3-dihydro-5-benzofuranyl)ethyl)-alpha,alpha-diphenyl-, monohydrobromide, (S)-, (S)-2-{1-(2-(2,3-Dihydrobenzofuran-5-yl)ethyl)-3-pyrrolidnyl}-2,2-diphenylacetamide hydrobromide, 3-Pyrrolidineacetamide, 1-(2-(2,3-dihydro-5-benzofuranyl)ethyl)-alpha,alpha-diphenyl-, monohydrobromide, (3S)-

Molecular Formula: C28H31BrN2O2Molecular Weight: 507.461940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UQAVIASOPREUIT-VQIWEWKSSA-N

• Deslorelin
IUPAC Name: N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide | CAS Registry Number: 57773-65-6
Synonyms: Somagard, Tryptal, D-Trp LHRH-PEA, Bachem 9022, Desloreline [INN-French], Deslorelinum [INN-Latin], Deslorelina [INN-Spanish], GNRH (D-Trp6,pro9-net), Deslorelin [USAN:BAN:INN], (D-Trp6,Pro9-NHEt)LH-RH, (D-Trp6,des-Gly10)-LH-RH ethylamide, (de-Gly10,D-Trp6,Pro-NHEt)-LH-RH, (Des-Gly10(D-Tro6)-LH-RH ethylamide, (D-Trp(sub 6)-pro(sup 9)-NEt)-GNRH, (D-Trp6,des-Gly-NH210)-LH-RH ethylamide, D-Trp(sup 6)-pro(sup 9)-N-ethylamide-LHRH, LS-88357, (D-Trp(sup 6)-pro(sup 9))-LHRH ethylamide, H 4065, (D-Trp(sub 6)-pro(sup 9)-NEt)-gonadotropin releasing hormone

Molecular Formula: C64H83N17O12Molecular Weight: 1282.450520 [g/mol]
H-Bond Donor: 16H-Bond Acceptor: 19

InChIKey: GJKXGJCSJWBJEZ-YBPHYSDRSA-N

• Desmopressin
IUPAC Name: N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[4-(2-amino-2-oxoethyl)-7-(3-amino-3-oxopropyl)-13-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-10-(phenylmethyl)-18,19-dithia-2,5,8,11,14-pentazacycloicosane-1-carbonyl]pyrrolidine-2-carboxamide | CAS Registry Number: 16679-58-6
Synonyms: Adiuretin, DESMOPRESSIN, Minirin, Adiuretin SD, DDAVP, Desmopressin acetate, Desmopressin (INN), Desmopresina [INN-Spanish], Desmopressine [INN-French], Desmopressinum [INN-Latin], Desmopressin [INN:BAN], Deamino Arginine Vasopressin, Vasopressin, Deamino Arginine, 1-Deamino-8-D-arginine vasopressin, 1-Desamino-8-D-arginine vasopressin, C4H10.CH2O, EINECS 240-726-7, 1-Desamino-8-arginine Vasopressin, Desamino-8-D-arginine vasopressin, l-, Desmopressin Monoacetate, Trihydrate

Molecular Formula: C46H64N14O12S2Molecular Weight: 1069.216960 [g/mol]
H-Bond Donor: 13H-Bond Acceptor: 15

InChIKey: NFLWUMRGJYTJIN-UHFFFAOYSA-N

• Dihydrokaempferol
IUPAC Name: (2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one | CAS Registry Number: 480-20-6
Synonyms: aromadendrin, dihydrokaempferol, Aromadendrol, (+)-aromadendrin, Aromadedrin, (+)-Dihydrokaempferol, Arbo 14, DIHYDROKAEMPFEROL-CMPD, MLS000697722, CHEBI:15401, AIDS058985, AIDS-058985, SMR000470989, C00974, (2R,3R)-3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, (2R-trans)-, 20257-56-1, 29400-53-1, 4050-91-3, 5150-32-3

Molecular Formula: C15H12O6Molecular Weight: 288.252180 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: PADQINQHPQKXNL-LSDHHAIUSA-N

• Diphenyleneiodonium Sulfate
Synonyms: Dibenziodolium, Diphenyleneiodonium, Dibenzoiodolium, Diphenylene iodonium, Diphenyleneiodonium chloride, nchembio.83-comp19, nchembio873-comp33, Tocris-0504, 2,2'-Biphenylyleneiodonium, diphenyleneiodium chloride, Lopac-D-2926, Bis(dibenziodonium) sulphate, Lopac0_000367, BSPBio_001027, KBioGR_000367, KBioSS_000367, diphenyl-iodonium hydrochloride, C12H8I, 244-54-2 (Parent), KBio2_000367

Molecular Formula: C12H8I+Molecular Weight: 279.096390 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QFXKXRXFBRLLPQ-UHFFFAOYSA-N

• Enfurvitide (T-20)
Synonyms: Enfuvirtide, Pentafuside, Fuzeon, Fuzeon (TM), Fuzeon (TN), T 20 (peptide), TNX-355+Efuvirtide, Enfuvirtide+PRO 140, T 20 cpd, T-20 cpd, Enfuvirtide (USAN/INN), Roche brand of pentafuside, T20-LAI, DP178, Dp 178, AIDS059486, AIDS209860, AIDS224018, AIDS224025, AIDS284430

Molecular Formula: C204H301N51O64Molecular Weight: 4491.876040 [g/mol]
H-Bond Donor: 63H-Bond Acceptor: 71

InChIKey: PEASPLKKXBYDKL-FXEVSJAOSA-N

• Eptifibatide
IUPAC Name: 2-[20-carbamoyl-12-[4-(diaminomethylideneamino)butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid | CAS Registry Number: 188627-80-7
Synonyms: Integrelin, Integrilin, Intrifiban, DB00063, LS-182837, L-Cysteinamide, N6-(aminoiminomethyl)-N2-(3-mercapto-1-oxopropyl)-L-lysylglycyl-L-alpha-aspartyl-L-tryptophy-L-prolyl-, cyclic (1-6)-disulfide, 148031-34-9, 157630-07-4, 2-[20-carbamoyl-12-[4-(diaminomethylideneamino)butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid, N(sup 6)-Amidino-N(sup 2)-(3-mercaptopropionyl)-L-lysylglycyl-L-alpha-aspartyl-L-tryptophyl-L-prolyl-L-cysteinamide, cyclic(1-6)-disulfide

Molecular Formula: C35H49N11O9S2Molecular Weight: 831.961860 [g/mol]
H-Bond Donor: 10H-Bond Acceptor: 13

InChIKey: CZKPOZZJODAYPZ-UHFFFAOYSA-N

• Ethyl 3-amino-4-methoxythieno[2,3-b]pyridine-2-carboxylate
IUPAC Name: ethyl 3-amino-4-methoxythieno[2,3-b]pyridine-2-carboxylate | CAS Registry Number: 338773-61-8
Synonyms: ethyl 3-amino-4-methoxythieno[2,3-b]pyridine-2-carboxylate, ZINC01382039, AC1LST5L, SureCN4114621, CTK8C1115, MolPort-002-862-229, ANW-65912, AKOS005085268, MCULE-5705993463, AK-87376, KB-234589, 2K-071, 3-amino-4-methoxythieno[2,3-b]pyridine-2-carboxylic acid ethyl ester

Molecular Formula: C11H12N2O3SMolecular Weight: 252.289580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: IUKLQYDVSUVAOO-UHFFFAOYSA-N

• Ethyl 3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxylate
IUPAC Name: ethyl 3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxylate | CAS Registry Number: 52505-43-8
Synonyms: ethyl 3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxylate, ZINC03878297, AC1MD6M8, CBDivE_004580, MLS000332646, STOCK4S-70081, CTK8C1114, MolPort-000-772-132, HMS2790P12, ANW-65911, STK847234, AKOS001632003, MCULE-6261176663, QC-6759, AK-87377, SMR000435968, KB-252916, EU-0007270, 3-Amino-5-nitro-thieno[2,3-b]pyridine-2-carboxylic acid ethyl ester

Molecular Formula: C10H9N3O4SMolecular Weight: 267.261160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: BFKHPDPSYGZJLE-UHFFFAOYSA-N

• Ethyl 4-[(4-chlorophenyl)-2-pyridinylmethoxy]-1-piperidinecarboxylate
IUPAC Name: ethyl 4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidine-1-carboxylate | CAS Registry Number: 207726-35-0
Synonyms: Ethyl 4-((4-chlorophenyl)(pyridin-2-yl)methoxy)piperidine-1-carboxylate, CTK8C1118, ANW-65918, AKOS015918352, AK-87369, KB-66568, ST51055791, A814869, I14-8159, ethyl 4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]piperidine-1-carboxylate, 1-Piperidinecarboxylic acid,4-[(4-chlorophenyl)-2-pyridinylmethoxy]-,ethyl ester, 4-[(4-chlorophenyl)-(2-pyridinyl)methoxy]-1-piperidinecarboxylic acid ethyl ester, 4-[(4-Chlorophenyl)-2-pyridinylmethoxy]-1-piperidinecarboxylic acid ethyl ester

Molecular Formula: C20H23ClN2O3Molecular Weight: 374.861220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: IGEIRAKLLHYWTQ-UHFFFAOYSA-N

• ethyl 4-bromothiazole-2-carboxylate
IUPAC Name: ethyl 4-bromo-1,3-thiazole-2-carboxylate | CAS Registry Number: 959755-96-5
Synonyms: ETHYL 4-BROMOTHIAZOLE-2-CARBOXYLATE, ethyl4-bromothiazole-2-carboxylate, ethyl 4-bromo-1,3-thiazole-2-carboxylate, SureCN1476131, CTK5H8487, MolPort-016-578-717, ANW-65916, AKOS015834963, AG-L-25296, PB13326, QC-6422, AK-87372, KB-51227, AM20120382, BB 0261270, FT-0682305, A11193, C-8667, I14-14506

Molecular Formula: C6H6BrNO2SMolecular Weight: 236.086340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: CFRQYWHXWNRQAP-UHFFFAOYSA-N

• Exenatide
Synonyms: Exendin 4, Exendin-4, Bydureon, Byetta, AC 2993, exenatida, exenatidum, Bydureon Pen, UNII-9P1872D4OL, CHEBI:64073, Exendin 4 (Heloderma suspectum), HSDB 7789, Exenatide [USAN:INN:BAN:JAN], 9P1872D4OL, PT302, AC 2993A, DA 3091, Heloderma suspectum gila monster exendin-4, LY2148568, LY 2148568

Molecular Formula: C184H282N50O60SMolecular Weight: 4186.571880 [g/mol]
H-Bond Donor: 58H-Bond Acceptor: 66

InChIKey: HTQBXNHDCUEHJF-URRANESESA-N

• Febuxostat
IUPAC Name: 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid | CAS Registry Number: 144060-53-7
Synonyms: Adenuric, Uloric, Febuxostat [USAN], Tei-6720, Tei 6720, TMX 67, TMX-67, Febuxostat (JAN/USAN/INN), C16H16N2O3S, CID134018, LS-173202, D01206, 2-(3-Cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylic acid, 2-(3-Cyano-4-(2-methylpropoxy)phenyl)-4-methylthiazole-5-carboxylic acid, 5-Thiazolecarboxylic acid, 2-(3-cyano-4-(2-methylpropoxy)phenyl)-4-methyl-, 2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID, TEI

Molecular Formula: C16H16N2O3SMolecular Weight: 316.374840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: BQSJTQLCZDPROO-UHFFFAOYSA-N

• Fertirelin
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide | CAS Registry Number: 38234-21-8
Synonyms: Fertireline [INN-French], Fertirelinum [INN-Latin], Fertirelina [INN-Spanish], CID188304, 9-(N-Ethly-L-prolinamide)-10-deglycinamide, 9-(N-Ethyl-L-prolinamide)-10-deglycinamide luteinizing hormone releasing factor, 66002-66-2

Molecular Formula: C55H76N16O12Molecular Weight: 1153.291940 [g/mol]
H-Bond Donor: 15H-Bond Acceptor: 18

InChIKey: DGCPIBPDYFLAAX-YTAGXALCSA-N

• Glucagon Acetate
Synonyms: Bovine glucagon, Human glucagon, Glukagon Novo, Glucagon, pig, Glucagon (dog), Glucagon (pig), Glucagon (human), Glucagon (ox), Glucagon (swine), Glucagone [DCIT], Glucagonum [INN-Latin], Glucagon (Xenopus laevis), Glucagon (Saimiri sciureus), Glucagon [BAN:INN:JAN], Glucagon (Mesocricetus auratus), Glucagon, porcine, for bioassay, Glucagon, porcine, for immunoassay, NCGC00167140-01, 11025-50-6, 17084-65-0

Molecular Formula: C153H225N43O49SMolecular Weight: 3482.747300 [g/mol]
H-Bond Donor: 55H-Bond Acceptor: 58

InChIKey: MASNOZXLGMXCHN-ZLPAWPGGSA-N

• Goserelin Acetate
IUPAC Name: N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[2-[(carbamoylamino)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide | CAS Registry Number: 65807-02-5
Synonyms: goserelin, Zoladex, Goserelin acetate, Decapeptide I, Gosereline [French], Goserelinum [Latin], Goserelina [Spanish], Goserelin (USAN/INN), Goserelin [USAN:BAN:INN], Goserelin [USAN:INN:BAN], Goserelin acetate (JAN/USP), ICI 118630, CID47725, DB00014, ICI-118630, NCGC00167588-01, NCGC00167588-02, D-Ser(t-Bu)(sup 6)aza-gly(sup 10)-GNRH, LS-88233, D04405

Molecular Formula: C59H84N18O14Molecular Weight: 1269.410460 [g/mol]
H-Bond Donor: 17H-Bond Acceptor: 20

InChIKey: BLCLNMBMMGCOAS-UHFFFAOYSA-N

• H-L-ASU-OH
IUPAC Name: 2-aminooctanedioic acid | CAS Registry Number: 4254-88-0
Synonyms: 2-aminosuberic Acid, DL-2-Aminosuberic Acid, 2-Amino-octanedioic acid, DL-2-Aminooctanedioic Acid, (S)-2-Aminooctanedioic acid, CHEBI:279102, CID77937, EINECS 224-231-3, ST5825301, A1279

Molecular Formula: C8H15NO4Molecular Weight: 189.209000 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: YOFPFYYTUIARDI-UHFFFAOYSA-N

• Hexarelin
IUPAC Name: (2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide | CAS Registry Number: 140703-51-1
Synonyms: UNII-09QF37C617, CHEBI:472744, CID5464109, LS-191993, L-Lysinamide, L-histidyl-2-methyl-D-tryptophyl-L-alanyl-L-tryptophyl-D-phenylalanyl-

Molecular Formula: C47H58N12O6Molecular Weight: 887.040220 [g/mol]
H-Bond Donor: 11H-Bond Acceptor: 9

InChIKey: RVWNMGKSNGWLOL-RJVQSILISA-N

• INDACATEROLUM
IUPAC Name: 5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one | CAS Registry Number: 312753-06-3
Synonyms: Indacaterol, Indacaterol (USAN/INN), UNII-8OR09251MQ, QAB-149, CID6918554, D09318, 5-(2-(5,6-Diethylindan-2-ylamino)-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one

Molecular Formula: C24H28N2O3Molecular Weight: 392.490720 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: QZZUEBNBZAPZLX-QFIPXVFZSA-N

• INDOLE-7-BORONIC ACID
IUPAC Name: 1H-indol-7-ylboronic acid | CAS Registry Number: 210889-31-9
Synonyms: Indole-7-boronic acid, 1H-indol-7-ylboronic Acid, 1H-Indole-7-boronic acid, (1H-Indol-7-yl)boronic acid, Indole-7-BoronicAcid, 7-Borono-1H-Indole, ACMC-1CIOP, AC1MC82S, SureCN1688592, CTK4E5848, Boronic acid,B-1H-indol-7-yl-, ANW-24338, AKOS015854481, AG-E-54765, B-1H-INDOL-7-YL-BORONIC ACID, MB05097, OR16982, AK-80248, BORONIC ACID, B-1H-INDOL-7-YL-, KB-52675

Molecular Formula: C8H8BNO2Molecular Weight: 160.965620 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: HABOMNOJYJNVHE-UHFFFAOYSA-N

• Isoxepac
IUPAC Name: 2-(11-oxo-6H-benzo[c][2]benzoxepin-2-yl)acetic acid | CAS Registry Number: 55453-87-7
Synonyms: Arelix, Artil, Artil (TN), Isoxepacum [INN-Latin], Isoxepac (USAN/INN), Isoxepac [USAN:BAN:INN], HP 549, NSC300907, AIDS128843, NSC 300907, AIDS-128843, C16H12O4, BRN 1320243, HP-549, LS-61593, P 720549, HP-720549, TL8003618, P-549, D04638

Molecular Formula: C16H12O4Molecular Weight: 268.264080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QFGMXJOBTNZHEL-UHFFFAOYSA-N

• Ivabradine Hydrochloride
IUPAC Name: 3-[3-[[(8S)-3,4-dimethoxy-8-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one hydrochloride | CAS Registry Number: 148849-67-6
Synonyms: Procoralan, Corlentor, Ivabradine hydrochloride, LS-28024, S-16257, S-16257-2, S-16260-2, (7,8-Dimethoxy 3-(3-(((1S)-(4,5-dimethoxybenzocyclobutan-1-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-2H-benzazepin-2-one hydrochloride, 2H-3-Benzazepin-2-one, 3-(3-((((7S)-3,4-dimethoxybicyclo(4.2.0)octa-1,3,5-trien-7-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-, monohydrochloride, 2H-3-Benzazepin-2-one, 3-(3-(((3,4-dimethoxybicyclo(4.2.0)octa-1,3,5-trien-7-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-, monohydrochloride, (S)-

Molecular Formula: C27H37ClN2O5Molecular Weight: 505.046080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: HLUKNZUABFFNQS-ZMBIFBSDSA-N

• KRP-203
IUPAC Name: 2-amino-2-[2-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]ethyl]propane-1,3-diol | CAS Registry Number: 509088-69-1
Synonyms: KRP 203, CID11155874, 2-amino-2-[2-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]ethyl]propane-1,3-diol, 2-amino-2-(2-(4-(3-benzyloxyphenylthio)-2-chlorophenyl)ethyl)-1,3-propanediol hydrochloride

Molecular Formula: C24H26ClNO3SMolecular Weight: 443.986140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: IINUNQPYJGJCJI-UHFFFAOYSA-N

• Lafutidine
IUPAC Name: 2-(furan-2-ylmethylsulfinyl)-N-[(Z)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]acetamide | CAS Registry Number: 118288-08-7
Synonyms: lafutidine, Protecadin, Stogar, Lafutidine [INN], Protecadin (TN), Lafutidine (JAN/INN), FRG-8813, CID5282136, LS-9648, TL8000499, D01131, N-(4-(4-Piperidinylmethyl)pyridyl-2-oxy)butenyl-2-(furfurylsulfinyl)acetamide, (+-)-2-(Furfurylsulfinyl)-N-(4-(4-(piperidinomethyl)-2-pyridyl)oxy-(Z)-2-butenyl)acetamide, (+-)-2-(Furfurylsulfinyl)-N-((Z)-4-((4-(piperidinomethyl)-2-pyridyl)oxy)-2-butenyl) acetamide, Acetamide, 2-((2-furanylmethyl)sulfinyl)-N-(4-((4-(1-piperidinylmethyl)-2-pyridinyl)oxy)-2-butenyl)-, (Z)-, 143375-16-0

Molecular Formula: C22H29N3O4SMolecular Weight: 431.548360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: KMZQAVXSMUKBPD-DJWKRKHSSA-N

• Leuprolide
IUPAC Name: acetic acid; N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide | CAS Registry Number: 53714-56-0
Synonyms: Lupron, leuprolide, Leuprorelin, Enantone, Eligard, Leuplin, Leuprin, Procrin, Lucrin, Viadur, Leuprolide acetate, Leuplin depot, Procren Depot, Lupron Depot, Uno-Enantone, Depo-Lupron, Lupron PED, Leuprorelin acetate, Acetate, Leuprolide, Leuprolide Monoacetate

Molecular Formula: C59H84N16O14Molecular Weight: 1241.397060 [g/mol]
H-Bond Donor: 16H-Bond Acceptor: 20

InChIKey: ATCUBNJYGKGZGL-GZROYGCLSA-N

• LHRH
IUPAC Name: N-[1-[[1-[[1-[[1-[[2-[[1-[[1-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide | CAS Registry Number: 9034-40-6
Synonyms: Dirigestran, Gonadoliberin, Fertagyl, Hypocrine, Luliberin, Lutrefact, Relefact, Luforan, Lutamin, Lutal, Relisorm l, Gonadorelinum, Luteostimulin, Mammalian GnRH, Cystorelin, Gonadorelina, GONADORELIN, Kryptocur, Nialutin, Synthetic LRF

Molecular Formula: C55H75N17O13Molecular Weight: 1182.290100 [g/mol]
H-Bond Donor: 16H-Bond Acceptor: 17

InChIKey: XLXSAKCOAKORKW-UHFFFAOYSA-N

• Liraglutide
Synonyms: Liraglutide [USAN:INN], Liraglutidum [INN-Latin], Liraglutida [INN-Spanish], N26-(Hexadecanoyl-gamma-glutamyle)-(34-arginine)glucagon-like-peptide-1-(7-37)-peptide, Glycine, L-histidyl-L-alanyl-L-alpha-glutamylglycyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-alpha-aspartyl-L-valyl-L-seryl-L-seryl-L-tyrosyl-L-leucyl-L-alpha-glutamylglycyl-L-glutaminyl-L-alanyl-L-alanyl-N6-(N-(1-oxohexadecyl)-L-gamma-glutamyl)-L-lysyl-L-alpha-glutamyl-L-phenylalanyl-L-isoleucyl-L-alanyl-L-tryptophyl-L-leucyl-L-valyl-L-arginylglycyl-L-arginyl-

Molecular Formula: C172H265N43O51Molecular Weight: 3751.202000 [g/mol]
H-Bond Donor: 54H-Bond Acceptor: 55

InChIKey: KAIWQAZASNVPLR-QCIJIYAXSA-N

• Lumiracoxib
IUPAC Name: 2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid | CAS Registry Number: 220991-20-8
Synonyms: Prexige, Lumiracoxib [USAN:INN], Lumiracoxib (USAN/INN), COX-189, COX189, COX 189, CID151166, DB01283, NCGC00181795-01, LS-185762, LS-187022, LS-187647, D03714, 2-((2-Chloro-6-fluorophenyl)amino)-5-methylbenzeneacetic acid, Benzeneacetic acid, 2-((2-chloro-6-fluorophenyl)amino)-5-methyl-, 2-((2-Chloro-6-fluorophenyl)amino)-5-methylphenyl)acetic acid, 2-[2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl]acetic acid

Molecular Formula: C15H13ClFNO2Molecular Weight: 293.720623 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KHPKQFYUPIUARC-UHFFFAOYSA-N

• Lurasidone
Synonyms: Lurasidone [INN], UNII-22IC88528T, CID213046, PDSP2_001043, SM13496, (3aR,4S,7R,7aS)-2-((1R,2R)-2-(4-(1,2-Benzothiazol-3-yl)piperazin-1-ylmethyl)cyclohexylmethyl)hexahydro-4,7-methano-2H-isoindole-1,3-dione, N-(2-(4-(1,2-benzisothiazol-3-yl)-1-piperazinylmethyl)-1-cyclohexylmethyl)-2,3-bicyclo(2.2.1)heptanedicarboximide

Molecular Formula: C28H36N4O2SMolecular Weight: 492.676040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: PQXKDMSYBGKCJA-CVTJIBDQSA-N

• Melanotan-II
IUPAC Name: (1S,4S,7S,10R,13S,16S)-16-[[(2S)-2-acetamidohexanoyl]amino]-7-[3-(diaminomethylideneamino)propyl]-13-(1H-imidazol-5-ylmethyl)-4-(1H-indol-3-ylmethyl)-3,6,9,12,15,18-hexaoxo-10-(phenylmethyl)-2,5,8,11,14,19-hexazacyclotricosane-1-carboxamide | CAS Registry Number: 121062-08-6
Synonyms: Melanotan II, C50H69N15O9, NCGC00167281-01, LS-172479, L-Lysinamide, N-acetyl-L-norleucyl-L-alpha-aspartyl-L-histidyl-D-phenylalanyl-L-arginyl-L-tryptophyl-, cyclic (2-7)-peptide

Molecular Formula: C50H69N15O9Molecular Weight: 1024.177960 [g/mol]
H-Bond Donor: 13H-Bond Acceptor: 15

InChIKey: JDKLPDJLXHXHNV-MFVUMRCOSA-N

• Methanesulfonamide, N-[2-Butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-5-Benzofuranyl]-, Hydrochloride
IUPAC Name: N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide hydrochloride | CAS Registry Number: 141625-93-6
Synonyms: Dronedarone HCl, Dronedarone hydrochloride, UNII-FA36DV299Q, Dronedarone hydrochloride (USAN), CID219025, D03914, Methanesulfonamide, N-(2-butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)-5-benzofuranyl)-, monohydrochloride, N-(2-Butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)-5-benzofuranyl)methanesulfonamide monohydrochloride

Molecular Formula: C31H45ClN2O5SMolecular Weight: 593.217400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: DWKVCQXJYURSIQ-UHFFFAOYSA-N

• Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-hydroxyphenyl)
IUPAC Name: (2-butyl-5-nitro-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone | CAS Registry Number: 141645-16-1
Synonyms: (2-Butyl-5-nitrobenzofuran-3-yl)(4-hydroxyphenyl)methanone, 2-butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran, Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-hydroxyphenyl)-, SureCN282873, AGN-PC-009T7J, MET047, CTK8B6199, ANW-52924, CL4581, AKOS015901881, RL01738, AK-94299, BD231646, KB-62650, FT-0686415, X3192, I14-14008

Molecular Formula: C19H17NO5Molecular Weight: 339.341980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: ZJZKLBXEGZKOBW-UHFFFAOYSA-N

• Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-methoxyphenyl)
IUPAC Name: (2-butyl-5-nitro-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone | CAS Registry Number: 141627-42-1
Synonyms: (2-Butyl-5-nitrobenzofuran-3-yl)(4-methoxyphenyl)methanone, SureCN283212, CTK8B6198, ACN-S002205, ACT08508, ANW-52923, CL4580, AKOS015901847, QC-8893, AK-94300, BD231647, KB-62651, FT-0686414, X3191, 2-(n-Butyl)-3-(4-methoxybenzoyl)-5-nitrobenzofuran, I14-14006

Molecular Formula: C20H19NO5Molecular Weight: 353.368560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: WYALRXZJYXWYGR-UHFFFAOYSA-N

• Methanone, (2-butyl-5-nitro-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]
IUPAC Name: (2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone | CAS Registry Number: 141645-23-0
Synonyms: SureCN283110, MET056, CTK4C2735, AKOS015901542, AG-L-59360, KB-62649, I14-13977, (2-Butyl-5-nitro-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]methanone, (2-butyl-5-nitrobenzofuran-3-yl)(4-(3-(dibutylamino)propoxy)phenyl)methanone, Methanone, (2-butyl-5-nitro-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]-

Molecular Formula: C30H40N2O5Molecular Weight: 508.649000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: YIYARJKYRBMMJG-UHFFFAOYSA-N

• Methotrexate
IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid | CAS Registry Number: 59-05-2
Synonyms: methotrexate, Amethopterin, Mexate, Rheumatrex, Antifolan, Hdmtx, Methylaminopterin, Amethopterine, Methotextrate, Ledertrexate, Metatrexan, Methopterin, Methotrexat, Metolate, Maxtrex, Folex, Methylaminopterinum, L-Amethopterin, A-Methopterin, A-Methpterin

Molecular Formula: C20H22N8O5Molecular Weight: 454.439280 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 12

InChIKey: FBOZXECLQNJBKD-ZDUSSCGKSA-N

• Methotrexate Disodium Salt
IUPAC Name: (2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid | CAS Registry Number: 7413-34-5
Synonyms: D-Amethopterin, D-Methotrexate, methotrexate, Ledertrexate, Metatrexan, Rheumatrex, Antifolan, Mexate, Hdmtx, A-Methopterin, A-Methpterin, Amethopterin L-, Folex-Pfs, Methotrexat-Ebewe, Methylaminopterinum, Methotrexate analog, Methotrexate, L-, Metotressato [DCIT], Lopac-A-6770, Lopac-A-9898

Molecular Formula: C20H22N8O5Molecular Weight: 454.439280 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 12

InChIKey: FBOZXECLQNJBKD-CYBMUJFWSA-N

• METHYL 3-AMINO-5,6-DIMETHYL-PYRAZINE-2-CARBOXYLATE
IUPAC Name: methyl 3-amino-5,6-dimethylpyrazine-2-carboxylate | CAS Registry Number: 6294-72-0
Synonyms: NSC9625, CID222765

Molecular Formula: C8H11N3O2Molecular Weight: 181.191840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: UJVSGFCWQWRGPO-UHFFFAOYSA-N

• N-(2-Aminoethyl)-4-morpholinecarboxamide ethanedioate
IUPAC Name: N-(2-aminoethyl)morpholine-4-carboxamide;oxalic acid | CAS Registry Number: 154467-16-0
Synonyms: N-(2-Aminoethyl)morpholine-4-carboxamide oxalate, KSC173K5P, CTK0H3557, ANW-53343, SBB068680, AKOS015918329, AK-93568, BD230952, KB-258086, I14-8157, 4-Morpholinecarboxamide, N-(2-aminoethyl)-, ethanedioate (1:1)

Molecular Formula: C9H17N3O6Molecular Weight: 263.247780 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: FMVSRINQKOORMK-UHFFFAOYSA-N

• N-(3-Chloropropyl)dibutylamine
IUPAC Name: N-butyl-N-(3-chloropropyl)butan-1-amine | CAS Registry Number: 36421-15-5
Synonyms: NSC51133, CID96084, EINECS 253-027-7

Molecular Formula: C11H24ClNMolecular Weight: 205.767960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ANLMKUQEPXRMGV-UHFFFAOYSA-N

• N-{4-[4-(piperidinomethyl)pyridyl-2-Oxy]-Cis-2-Butene}phthalimide Maleate
IUPAC Name: but-2-enedioic acid;2-[4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]isoindole-1,3-dione | CAS Registry Number: 146447-26-9
Synonyms: (Z)-2-(4-((4-(Piperidin-1-ylmethyl)pyridin-2-yl)oxy)but-2-en-1-yl)isoindoline-1,3-dione maleate, CTK8B4372, N-{4-[4-(Piperidinomethyl)pyridyl-2-oxy]-cis-2-butene}phthalimide maleic acid, ACT06269, ANW-44861, A808508, (Z)-2-(4-(4-(piperidin-1-ylmethyl)pyridin-2-yloxy)but-2-enyl)isoindoline-1,3-dione maleate, but-2-enedioic acid; 2-[4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]but-2-enyl]isoindole-1,3-dione, but-2-enedioic acid; 2-[4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]isoindole-1,3-dione

Molecular Formula: C27H29N3O7Molecular Weight: 507.535060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: CKMFWYSSYXTDBF-UHFFFAOYSA-N


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