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Shanghai APIs Chemical Co., Ltd.

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Profile: Shanghai APIs Chemical Co., Ltd. is specializes in manufacturer of API chemicals to various chemical induistries.

1 to 50 of 713 Products/Chemicals (Click for related suppliers)  Page: [1] 2 3 4 5 6 7 8 9 10 11 12 13 14 15 >> Next 50 Results
• A 922500
IUPAC Name: (1R,2R)-2-[4-[4-(phenylcarbamoylamino)phenyl]benzoyl]cyclopentane-1-carboxylic acid | CAS Registry Number: 959122-11-3
Synonyms: A922500, A-922500, (1R,2R)-2-[[4'-[[(PHENYLAMINO)CARBONYL]AMINO][1,1'-BIPHENYL]-4-YL]CARBONYL]CYCLOPENTANECARBOXYLIC ACID, PubChem16681, Urea-based Analogue, 4a, SureCN2742723, cc-142, CHEMBL430405, CTK3I5664, MolPort-021-804-898, UNII-44698M475X, ABP000315, BCP9000206, CS-0308, AK-54614, HY-10038, Y0266, A922500;959122-11-3, (1R,2R)-2-(4'-(3-Phenylureido)-[1,1'-biphenyl]-4-carbonyl)cyclopentanecarboxylic acid, (1R,2R)-2-(4-{4-[(phenylcarbamoyl)amino]phenyl}benzoyl)cyclopentane-1-carboxylic acid

Molecular Formula: C26H24N2O4Molecular Weight: 428.479760 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: BOZRFEQDOFSZBV-DHIUTWEWSA-N

• A-769662
IUPAC Name: 4-hydroxy-3-[4-(2-hydroxyphenyl)phenyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile | CAS Registry Number: 844499-71-4
Synonyms: A 769662, 4-Hydroxy-3-(2'-hydroxy-1,1'-biphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, PubChem16661, cc-24, SureCN2669403, CHEMBL512504, CTK8E9331, CHEBI:546780, BCPP000450, ACT04835, AKOS015902474, BCP9000208, QC-6154, NCGC00250373-01, AK117003, KB-47022, FT-0653453, ST51054123, X7459, A10139

Molecular Formula: C20H12N2O3SMolecular Weight: 360.385880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: CTESJDQKVOEUOY-UHFFFAOYSA-N

• a-Methyl-L-proline
IUPAC Name: 2-methylpyrrolidine-2-carboxylic acid | CAS Registry Number: 42856-71-3
Synonyms: 2-Methylproline, alpha-Methylproline, L-Proline, 2-methyl-, NSC14964, NSC 14964, 2-Methyl-pyrrolidine-2-carboxylic acid

Molecular Formula: C6H11NO2Molecular Weight: 129.157040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LWHHAVWYGIBIEU-UHFFFAOYSA-N

• A939572
IUPAC Name: 4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide | CAS Registry Number: 1032229-33-6
Synonyms: SCD inhibitor, 4-(2-CHLOROPHENOXY)-N-[3-[(METHYLAMINO)CARBONYL]PHENYL]-1-PIPERIDINECARBOXAMIDE, SCD-inhibitor, SureCN14554165, CHEMBL469169, CTK4A1885, CHEBI:588253, ABP000839, AG-D-13715, CS-0305, AK-54596, HY-50709, KB-80523, 4-(2-chlorophenoxy)-N-(3-(methylcarbamoyl)phenyl)piperidine-1-carboxamide, 1-Piperidinecarboxamide, 4-(2-chlorophenoxy)-N-[3-[(methylamino)carbonyl]phenyl]-, 1-Piperidinecarboxamide, 4-(2-chlorophenoxy)-N-[3-[(methylamino)carbonyl]phenyl]-;, 1-Piperidinecarboxamide,4-(2-chlorophenoxy)-N-[3-[(methylamino)carbonyl]phenyl]-, SCD inhibitor|1032229-33-6|SCD-inhibitor|1-Piperidinecarboxamide, 4-(2-chlorophenoxy)-N-[3-[(methylamino)carbonyl]phenyl]-

Molecular Formula: C20H22ClN3O3Molecular Weight: 387.859980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: DPYTYQFYDLYWHZ-UHFFFAOYSA-N

• Abiraterone
IUPAC Name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 154229-19-3
Synonyms: UNII-G819A456D0, CHEBI:522175, CID132971, ZINC03797541, CB 7598, CB-7598, 17-(3-Pyridyl)androsta-5,16-dien-3beta-ol, Androsta-5,16-dien-3-ol, 17-(3-pyridinyl)-, (3beta)-, (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Molecular Formula: C24H31NOMolecular Weight: 349.509040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GZOSMCIZMLWJML-VJLLXTKPSA-N

• ABT-737
IUPAC Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide | CAS Registry Number: 852808-04-9
Synonyms: ABT 737, ABT737, 4-[4-[(4'-Chloro[1,1'-biphenyl]-2-yl)methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonyl]benzamide, Benzamide, 4-[4-[(4'-chloro[1,1'-biphenyl]-2-yl)methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonyl]-, 2yxj, 4-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide, S1002_Selleck, PubChem20162, SureCN158942, UNII-Z5NFR173NV, cc-242, CHEMBL376408, QCR-51, N-Benylpiperazine derivative, 2, ABP000128, DNC007115, AKOS016003299, AM81254, CS-0014, ABT-737-Supplied by Selleck Chemicals

Molecular Formula: C42H45ClN6O5S2Molecular Weight: 813.426900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: HPLNQCPCUACXLM-PGUFJCEWSA-N

• ABT-751
IUPAC Name: N-[2-(4-hydroxyanilino)pyridin-3-yl]-4-methoxybenzenesulfonamide | CAS Registry Number: 141430-65-1
Synonyms: ABT751, ABT 751, CHEBI:124217, E-7010, NSC742134, CID3035714, E 7010, LS-31613, E7010, Benzenesulfonamide, N-(2-((4-hydroxyphenyl)amino)-3-pyridinyl)-4-methoxy-, N-(2-((4-Hydroxyphenyl)amino)-3-pyridinyl)-4-methoxybenzenesulfonamide, N-(2-(4-hydroxyphenylamino)pyridin-3-yl)-4-methoxybenzenesulfonamide, N-[2-(4-Hydroxy-phenylamino)-pyridin-3-yl]-4-methoxy-benzenesulfonamide, N-[2-[(4-hydroxyphenyl)amino]-3-pyridinyl]-4-methoxybenzenesulfonamide, 857447-92-8, E70

Molecular Formula: C18H17N3O4SMolecular Weight: 371.410280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: URCVCIZFVQDVPM-UHFFFAOYSA-N

• Adavosertib
IUPAC Name: 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one | CAS Registry Number: 955365-80-7
Synonyms: MK-1775, MK1775, MK 1775, MK1775, MK-1775, 2-allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-(4-(4-methylpiperazin-1-yl)phenylamino)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one, 3H-Pyrazolo(3,4-d)pyrimidin-3-one, 1,2-dihydro-1-(6-(1-hydroxy-1-methylethyl)-2-pyridinyl)-6-((4-(4-methyl-1-piperazinyl)phenyl)amino)-2-(2-propen-1-yl)-, 3H-Pyrazolo[3,4-d]pyrimidin-3-one, 1,2-dihydro-1-[6-(1-hydroxy-1-methylethyl)-2-pyridinyl]-6-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-2-(2-propen-1-yl)-, S1525_Selleck, Kinome_2656, UNII-K2T6HJX3I3, SureCN1504444, cc-686, QCR-46, MolPort-016-633-227, DCL000569, AM90274, BCP9000937, CS-0105, MK-1775-Supplied by Selleck Chemicals, NCGC00263183-01

Molecular Formula: C27H32N8O2Molecular Weight: 500.595380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: BKWJAKQVGHWELA-UHFFFAOYSA-N

• Adenosine 5'-monophosphate disodium salt
IUPAC Name: disodium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate | CAS Registry Number: 4578-31-8
Synonyms: Disodium AMP, AMP disodium salt, Disodium 5'-AMP, 5'-adenylic acid, nchem.100-comp5, 5'-AMP disodium salt, Adenylic acid disodium salt, 5'-adenosine monophosphate, 5'-AMP-Na2, A1752_SIGMA, 01930_FLUKA, EINECS 224-961-2, Disodium adenosine 5'-phosphate hydrate, 5'-ADENYLIC ACID, DISODIUM SALT, A-5'-P, Adenosine 5'-monophosphate sodium salt, LS-15197, ST5409940, TL8003181, AMP

Molecular Formula: C10H12N5Na2O7PMolecular Weight: 391.184881 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 12

InChIKey: QGXLVXZRPRRCRP-IDIVVRGQSA-L

• ADERBASIB
IUPAC Name: methyl (5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-7-azaspiro[2.5]octane-7-carboxylate | CAS Registry Number: 791828-58-5
Synonyms: Aderbasib, Aderbasib (USAN/INN), UNII-V9YL6NEJ3G, INCB7839, D09320

Molecular Formula: C21H28N4O5Molecular Weight: 416.470820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: DJXMSZSZEIKLQZ-IRXDYDNUSA-N

• AEE788
IUPAC Name: 6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | CAS Registry Number: 497839-62-0
Synonyms: AEE 788, CID11578515, CID 11578515, 1H-Pyrrolo(2,3-d)pyrimidin-4-amine, 6-(4-((4-ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-

Molecular Formula: C27H32N6Molecular Weight: 440.583180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: OONFNUWBHFSNBT-UHFFFAOYSA-N

• Afimoxifene
IUPAC Name: 4-[(Z)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenylbut-1-enyl]phenol | CAS Registry Number: 68392-35-8
Synonyms: 4-Hydroxytamoxifen, Hydroxytamoxifen, Tamogel, 4-Hydroxy-tamoxifen, para-Hydroxytamoxifen, 4-Monohydroxytamoxifen, trans-4-Hydroxytamoxifen, Tamoxifen metabolite B, 4'-hydroxytamoxifen, Tamogel (TN), Afimoxifene [USAN], trans-Hydroxytamoxifen, (Z)-4-Hydroxytamoxifen, 2bj4, Afimoxifene (USAN/INN), 4-OH-TAM, 4-OHT, T176_SIGMA, Ici 79280, MLS000069742

Molecular Formula: C26H29NO2Molecular Weight: 387.513960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: TXUZVZSFRXZGTL-QPLCGJKRSA-N

• AFP464 free base
IUPAC Name: (2S)-2,6-diamino-N-[4-(5-amino-6,8-difluoro-7-methyl-4-oxochromen-2-yl)-2-fluorophenyl]hexanamide;methanesulfonic acid | CAS Registry Number: 468719-52-0
Synonyms: AFP464, NSC710464, AC1L9IUY, 468719-53-1, NSC-710464, KB-74532, (2S)-2,6-diamino-N-[4-(5-amino-6,8-difluoro-7-methyl-4-oxochromen-2-yl)-2-fluorophenyl]hexanamide; methanesulfonic acid, 4H-1-Benzopyran-4-one,8-difluoro- 2-[3-fluoro-4-[(L-lysyl)amino]phenyl]-7-methyl-, dimethanesulfonate, Hexanamide,6-diamino-N-[4-(5-amino-6,8-difluoro-7-methyl-4-oxo-4H-1-benzopyran-2-yl)-2-fluorophenyl]-, (2S)-, dimethanesulfonate salt, L-Lysine,8-difluoro-7-methyl-4-oxo- 4H-1-benzopyran-2-yl)-2-fluorophenyl]amide, dimethanesulfonate

Molecular Formula: C23H27F3N4O6SMolecular Weight: 544.543890 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 12

InChIKey: MJVICFBYAVBBOA-ZOWNYOTGSA-N

• AG-024322
IUPAC Name: N-[[5-[(3E)-3-(4,6-difluorobenzimidazol-2-ylidene)-1,2-dihydroindazol-5-yl]-4-methylpyridin-3-yl]methyl]ethanamine | CAS Registry Number: 837364-57-5
Synonyms: AG-24322, AC1OCFY2, UNII-926F8X7TNO, N-[[5-[(3E)-3-(4,6-difluorobenzimidazol-2-ylidene)-1,2-dihydroindazol-5-yl]-4-methylpyridin-3-yl]methyl]ethanamine, AG 24322, 3-Pyridinemethanamine, 5-(3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl)-N-ethyl-4-methyl-

Molecular Formula: C23H20F2N6Molecular Weight: 418.441906 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: RBOKLZGCVRXGEP-XTQSDGFTSA-N

• AG490
IUPAC Name: (E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide | CAS Registry Number: 133550-30-8
Synonyms: Tyrphostin B42, 2-Propenamide, Tyrphostin AG 490, tyrphostin AG-490, Tyrphostin deriv. 42, Tocris-0414, BiomolKI_000025, Lopac-T-3434, Tyrphostin-?AG-?490, BiomolKI2_000033, Lopac0_001166, BSPBio_001396, MLS002153172, T3434_SIGMA, AG 490, AG-490, CHEBI:187221, MolPort-001-761-274, AIDS080808, HMS1989F18

Molecular Formula: C17H14N2O3Molecular Weight: 294.304660 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: TUCIOBMMDDOEMM-RIYZIHGNSA-N

• AICAR
IUPAC Name: 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide | CAS Registry Number: 2627-69-2
Synonyms: ACADESINE, AICA-riboside, Arasine, Protara, AIC-Riboside, Z-Riboside, AICA riboside, AICA, Acadesine (USAN/INN), Acadesinum [INN-Latin], Acadesina [INN-Spanish], Acadesine [USAN:BAN:INN], AIDS016108, AIDS-016108, EINECS 220-097-5, HSCI1_000213, NSC105823, GP-1-110, NSC 105823, 5-Aminoimidazole-4-carboxamide riboside

Molecular Formula: C9H14N4O5Molecular Weight: 258.231260 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 8

InChIKey: RTRQQBHATOEIAF-UUOKFMHZSA-N

• Alacepril
IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid | CAS Registry Number: 74258-86-9
Synonyms: alacepril, Cetapril, aracepril, Alaceprilum [Latin], Cetapril (TN), Alacepril [INN:JAN], Ambap5418, Alacepril (JP15/INN), C20H26N2O5S, NSC 338157, CID71992, DU 1219, DU-1219, BRN 3634372, LS-105750, D01900, 1-(D-3-Acetylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine, N-(2-((S)-3-Acetylthio-2-methylpropionyl)propyl)-3-phenylalanin, L-Phenylalanine, N-(1-(3-(acetylthio)-2-methyl-1-oxopropyl)-L-prolyl)-, (S)-, N-(1-((S)-3-Mercapto-2-methylpropionyl)-L-prolyl)-3-phenyl-L-alanine acetate (ester)

Molecular Formula: C20H26N2O5SMolecular Weight: 406.495840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: FHHHOYXPRDYHEZ-COXVUDFISA-N

• Alisertib
IUPAC Name: 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoic acid | CAS Registry Number: 1028486-01-2
Synonyms: MLN8237, MLN-8237, MLN 8237, MLN-8237, MLN8237, 4-((9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-yl)amino)-2-methoxybenzoic acid, MLN 8237, 1028486-01-2, 4-[[9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoic acid, Alisertib (USAN), S1133_Selleck, MLN8237,Alisertib, Kinome_3770, PubChem22398, Alisertib [USAN:INN], MLN8237 (Alisertib), MLN8237 - Alisertib, SureCN855823, JSPY-st000258, cc-313, UNII-T66ES73M18, CHEMBL483158

Molecular Formula: C27H20ClFN4O4Molecular Weight: 518.923503 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: ZLHFILGSQDJULK-UHFFFAOYSA-N

• Aliskiren hemifumarate
IUPAC Name: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide; (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide; (E)-but-2-enedioic acid | CAS Registry Number: 173334-58-2
Synonyms: Tekturna, Enviage, Rasilez, Riprazo, Sprimeo, Aliskiren fumarate, Tekturna (TN), Aliskiren fumarate (JAN), SPP-100B, SPP-100, CGP-60536B, CGP-60536, D06412

Molecular Formula: C64H110N6O16Molecular Weight: 1219.588800 [g/mol]
H-Bond Donor: 10H-Bond Acceptor: 18

InChIKey: KLRSDBSKUSSCGU-KRQUFFFQSA-N

• Almorexant
IUPAC Name: (2R)-2-[(1R)-6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenylacetamide | CAS Registry Number: 871224-64-5
Synonyms: CTK5F7862, ABP000790, AKOS005146197, AG-H-51389, FT-0686941, Y0258, 2(1H)-Isoquinolineacetamide,3,4-dihydro-6,7-dimethoxy-N-methyl-a-phenyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-, (aR,1S)-, Almorexant;2-[(1S)-6,7-Dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenylacetamide;(2R)-2-((1S)-6,7-Dimethoxy-1-{2-(4-(trifluoromethyl)phenyl)ethyl}-3,4-dihydroisoquinolin-2(1H)-yl)-N-methyl-2-phenylacetamide;3,4-Dihydro-6,7-dimethoxy-N-methyl-alpha-phenyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-2(1H)-isoquinolineacetamide;ACT-078573;

Molecular Formula: C29H31F3N2O3Molecular Weight: 512.563250 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: DKMACHNQISHMDN-SHQCIBLASA-N

• AMG-208
IUPAC Name: 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline | CAS Registry Number: 1002304-34-8
Synonyms: AMG 208, 7-methoxy-4-((6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy)quinoline, AMG208, 1002304-34-8, AMG208, AMG-208, 7-methoxy-4-({6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}methoxy)quinoline, Triazolopyridazine, 4, S1316_Selleck, 3cd8, UNII-Y2SR66P7VM, SureCN9910136, cc-218, AMG208, CHEMBL496102, QCR-184, MolPort-016-633-199, AKOS015852294, BCP9000287, CS-0185, DB08079, RL00020

Molecular Formula: C22H17N5O2Molecular Weight: 383.402680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: HEAIZQNMNCHNFD-UHFFFAOYSA-N

• AMG-458
IUPAC Name: 1-(2-hydroxy-2-methylpropyl)-N-[5-(7-methoxyquinolin-4-yl)oxypyridin-2-yl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide | CAS Registry Number: 913376-83-7
Synonyms: AMG458, AMG 458, SureCN197714, Substituted Pyrazolone, 17, cc-602, UNII-4535RW5Y3A, CHEMBL460472, AMG-458,AMG458, NCGC00346670-01, AMG 458; 913376-83-7, 1-(2-Hydroxy-2-methylpropyl)-N-(5-((7-methoxyquinolin-4-yl)oxy)pyridin-2-yl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide, 1-(2-hydroxy-2-methylpropyl)-N-{5-[(7-methoxyquinolin-4-yl)oxy]pyridin-2-yl}-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide, 1H-Pyrazole-4-carboxamide, 2,3-dihydro-1-(2-hydroxy-2-methylpropyl)-N-(5-((7-methoxy-4-quinolinyl)oxy)-2-pyridinyl)-5-methyl-3-oxo-2-phenyl-

Molecular Formula: C30H29N5O5Molecular Weight: 539.581760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: GLBZSOQDAOLMGC-UHFFFAOYSA-N

• Amonafide
Synonyms: Nafidimide, Amonifide, Amonafidum, Amonafida, Quinamed, Xanafide, Benzisoquinolinedione, 5-Aminomitonafide, Amonafidum [Latin], Amonafida [Spanish], Amonafide [INN], BIDA, NCIMech_000383, NSC308847, MLS000757039, UNII-1Q8D39N37L, M-FA 142, M-FA-142, NSC-308847, CGX-571

Molecular Formula: C16H17N3O2Molecular Weight: 283.325080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: UPALIKSFLSVKIS-UHFFFAOYSA-N

• Amp-53
Synonyms: ethonafide, UNII-OCD466V4LD, CHEMBL40924, AMP-53, 1H-Dibenz(de,H)isoquinoline-1,3(2H)-dione, 2-(2-(dimethylamino)ethyl)-7-ethoxy-, 2-(2'-(Dimethylamino)ethyl)-1,2-dihydro-7-ethoxydibenz(de, H)isoquinoline-1,3-dione

Molecular Formula: C22H22N2O3Molecular Weight: 362.421680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: CQZISUJEDPJJNF-UHFFFAOYSA-N

• Amprenavir
IUPAC Name: [(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate | CAS Registry Number: 161814-49-9
Synonyms: amprenavir, Agenerase, Prozei, Vertex, Vertex VX478, 1hpv, Amprenavir [USAN], Agenerase (TM), Agenerase (TN), GNA & Amprenavir, HHA & Amprenavir, 1t7j, VX-478, VX 478, HSDB 7157, Amprenavir (JAN/USAN/INN), DRG-0258, C25H35N3O6S, CHEBI:40050, KVX-478

Molecular Formula: C25H35N3O6SMolecular Weight: 505.626900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: YMARZQAQMVYCKC-OEMFJLHTSA-N

• Amsilarotene
IUPAC Name: 4-[[3,5-bis(trimethylsilyl)benzoyl]amino]benzoic acid | CAS Registry Number: 125973-56-0
Synonyms: Am 555S, Am-555S, TAC-101, TAC 101, CHEBI:145921, MolPort-005-942-618, CID9800306, 4-(3,5-Bis(trimethylsilyl)benzamido) benzoic acid, 4-[[3,5-bis(trimethylsilyl)benzoyl]amino]benzoic Acid, Benzoic acid, 4-((3,5-bis(trimethylsilyl)benzoyl)amino)-, 4-(3,5-Bis-trimethylsilanyl-benzoylamino)-benzoic acid(Am555S)

Molecular Formula: C20H27NO3Si2Molecular Weight: 385.604280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VVTNSTLJOVCBDL-UHFFFAOYSA-N

• Amuvatinib
IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carbothioamide | CAS Registry Number: 850879-09-3
Synonyms: MP470, MP-470, MP 470, MP470, MP-470, HPK56, N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carbothioamide, S1244_Selleck, PubChem22479, Amuvatinib (USAN/INN), Amuvatinib [USAN:INN], UNII-SO9S6QZB4R, AGN-PC-005XUY, cc-525, CHEMBL2103851, BCPP000157, HMS3244A11, HMS3244A12, HMS3244B11, Amuvatinib (MP-470, HPK 56), ABP000937

Molecular Formula: C23H21N5O3SMolecular Weight: 447.509540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: FOFDIMHVKGYHRU-UHFFFAOYSA-N

• ANV-944
IUPAC Name: [(2R)-1-cyanobutan-2-yl] N-[(1S)-1-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]ethyl]carbamate | CAS Registry Number: 501345-02-4
Synonyms: UNII-I3NPL1V48Q, I3NPL1V48Q, AVN944, CHEMBL3185925, AVN 944, AVN-944, VX 944, NCGC00345803-01, (R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(3-methoxy-4-(oxazol-5-yl)phenyl)ureido)phenyl)ethyl)carbamate, 297730-17-7, Carbamic acid, ((1S)-1-(3-((((3-methoxy-4-(5- oxazolyl)phenyl)amino)carbonyl)amino)phenyl)ethyl)-, (1R)-1-(cyanomethyl)propyl ester

Molecular Formula: C25H27N5O5Molecular Weight: 477.512380 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: GYCPCOJTCINIFZ-OXJNMPFZSA-N

• Apaziquone
IUPAC Name: 5-(aziridin-1-yl)-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-dione | CAS Registry Number: 114560-48-4
Synonyms: Apaziquonum, EOquin, Neoquin, Eoquin (TN), EO 9 (pharmaceutical), Apaziquonum [INN-Latin], Apaziquone (USAN/INN), Apaziquone [USAN:INN], NOR-701, UNII-H464ZO600O, EO-9, CHEBI:221457, C15H16N2O4, NSC 382456, NSC 382459, ZINC01536777, E 09, CID5813717, NSC-382456, NSC-382459

Molecular Formula: C15H16N2O4Molecular Weight: 288.298540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MXPOCMVWFLDDLZ-NSCUHMNNSA-N

• Aprepitant
IUPAC Name: 5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one | CAS Registry Number: 170729-80-3
Synonyms: Emend, Aprepitant [USAN], MK 869, MK 0869, DB00673, NCGC00181785-01, LS-156477, L 754030, 3H-1,2,4-Triazol-3-one, 5-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-1,2-dihydro-, 3H-1,2,4-Triazol-3-one, 5-((2-(1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-1,2-dihydro-, (2R-(2alpha(R*),3alpha))-, 221350-96-5, 3-(((2R,3S)-3-(p-Fluorophenyl)-2-(((alphaR)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl)oxy)morpholino)methyl)-delta(sup 2)-1,2,4-triazolin-5-one, 5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one

Molecular Formula: C23H21F7N4O3Molecular Weight: 534.426662 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 12

InChIKey: ATALOFNDEOCMKK-BYYRLHKVSA-N

• Apricoxib
IUPAC Name: 4-[2-(4-ethoxyphenyl)-4-methylpyrrol-1-yl]benzenesulfonamide | CAS Registry Number: 197904-84-0
Synonyms: Apricoxib (USAN/INN), UNII-5X5HB3VZ3Z, CID9820073, D08657, 2-(4-Ethoxyphenyl)-4-methyl 1-(4-sulfamoylphenyl)-1H-pyrrole, 4-[2-(4-ethoxyphenyl)-4-methyl-pyrrol-1-yl]benzenesulfonamide

Molecular Formula: C19H20N2O3SMolecular Weight: 356.438700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JTMITOKKUMVWRT-UHFFFAOYSA-N

• Aptivus
IUPAC Name: N-[3-[(1R)-1-[(2R)-6-hydroxy-4-oxo-2-phenethyl-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide | CAS Registry Number: 174484-41-4
Synonyms: Tipranavir, 1d4y, 2o4l, 2o4n, 2o4p, AIDS032941, PNU-140690, AIDS-032941, CID65027, PNU-140690E, DB00932, PNU 140690, 191150-83-1 (DISODIUM SALT), U-140690, U 140690, TPV, 2-Pyridinesulfonamide, N-(3-((1R)-1-((6R)-5,6-dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl)propyl)phenyl)-5-(trifluoromethyl)-, 2-Pyridinesulfonamide, N-(3-(1-(5,6-dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl)propyl)phenyl)-5-(trifluoromethyl)-, (R-(R*,R*))-, 2-Pyridinesulfonamide, N-[3-[(1R)-1-[(6R)-5,6-dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl]propyl]phenyl]-5-(trifluoromethyl)-, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE

Molecular Formula: C31H33F3N2O5SMolecular Weight: 602.664330 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: NZPXPXAGXYTROM-FYBSXPHGSA-N

• AR42
IUPAC Name: N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide | CAS Registry Number: 935881-37-1
Synonyms: OSU-HDAC42, AR 42, AR-42, (S)-N-Hydroxy-4-(3-methyl-2-phenylbutanamido)benzamide, (S)-HDAC 42, (S)-HDAC-42, HDAC-42, AR-42, HDAC-42, OSU-HDAC42, N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide, N-hydroxy-4-{[(2S)-3-methyl-2-phenylbutanoyl]amino}benzamide, S2244_Selleck, AC1OCFYN, cc-20, UNII-E0GG29V0AQ, OSU-HDAC 42, CHEMBL191482, OSU-42, CTK8C1969, AR-42 (OSU-HDAC42), CHEBI:418173

Molecular Formula: C18H20N2O3Molecular Weight: 312.363000 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: LAMIXXKAWNLXOC-INIZCTEOSA-N

• Arformoterol Tartrate
IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid; N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide | CAS Registry Number: 200815-49-2
Synonyms: Brovana, Arformoterol tartrate, Brovana (TN), (R,R)-Formoterol tartrate, (R,R)-Arformoterol tartrate, Arformoterol tartrate (USAN), UNII-5P8VJ2I235, CID9827062, D02981, 208102-41-4, Formamide, N-(2-hydroxy-5-((1R)-1-hydroxy-2-(((1R)-2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)phenyl)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1) (salt)

Molecular Formula: C23H30N2O10Molecular Weight: 494.491700 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 11

InChIKey: FCSXYHUNDAXDRH-OKMNHOJOSA-N

• Argatroban Monohydrate
IUPAC Name: (2R,4R)-1-[5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid hydrate | CAS Registry Number: 141396-28-3
Synonyms: argatroban, Novastan, Argatroban hydrate, Novastan (TN), Argatroban (USAN), Argatroban hydrate (JAN), D00181

Molecular Formula: C23H38N6O6SMolecular Weight: 526.649420 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 11

InChIKey: AIEZTKLTLCMZIA-LINCPPCXSA-N

• AT7519
IUPAC Name: 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide | CAS Registry Number: 844442-38-2
Synonyms: AT-7519, AT 7519, N-(4-Piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide, 4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide, PubChem22418, SureCN955568, UNII-X1BF92PW9T, cc-301, MolPort-016-633-226, BCPP000381, HMS3265A09, HMS3265A10, HMS3265B09, HMS3265B10, ABP000847, AT7519-Supplied by Selleck Chemicals, BCP9000335, CS-0017, RL05190, NCGC00263091-01

Molecular Formula: C16H17Cl2N5O2Molecular Weight: 382.244480 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: OVPNQJVDAFNBDN-UHFFFAOYSA-N

• Ataluren
IUPAC Name: 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid | CAS Registry Number: 775304-57-9
Synonyms: PTC124, PTC-124, 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoic acid, PTC 124, UNII-K16AME9I3V, AG-H-10365, PTC124, Ataluren, NCGC00168759-02, DSSTox_CID_26776, DSSTox_RID_81895, DSSTox_GSID_46776, 3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid, Benzoic acid, 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-, CAS-775304-57-9, Benzoic acid, 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)-, PTC124,Ataluren, S6003_Selleck, PubChem20544, Ataluren;PTC 124;, PTC124 - Ataluren

Molecular Formula: C15H9FN2O3Molecular Weight: 284.241963 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: OOUGLTULBSNHNF-UHFFFAOYSA-N

• Atorvastatin hemicalcium salt
IUPAC Name: calcium (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate | CAS Registry Number: 134523-03-8
Synonyms: Lipitor, atorvastatin, Prevencor, Lipibec, Torvast, Caduet, Sortis, Tahor, Mixture Name, ATORVASTATIN CALCIUM, Lipitor (TN), Atorvastatin calcium salt, Atorvastatin calcium [USAN], Atorvastatin calcium (USAN), 2C33H34FN2O5.Ca, CI-981, DRG-0321, CHEBI:50686, BB_SC-4721, YM-548

Molecular Formula: C66H68CaF2N4O10Molecular Weight: 1155.341726 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 14

InChIKey: FQCKMBLVYCEXJB-MNSAWQCASA-L

• ATP disodium salt
IUPAC Name: disodium [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] phosphate | CAS Registry Number: 987-65-5
Synonyms: Adenosine triphosphate disodium, CHEBI:50732, Disodium adenosine 5'-triphosphate, Adenosine 5'-triphosphate disodium salt, disodium 5'-O-(hydroxy{[hydroxy(phosphonatooxy)phosphoryl]oxy}phosphoryl)adenosine

Molecular Formula: C10H14N5Na2O13P3Molecular Weight: 551.144683 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 18

InChIKey: TTWYZDPBDWHJOR-IDIVVRGQSA-L

• Atracurium Besilate
IUPAC Name: 5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate | CAS Registry Number: 64228-79-1
Synonyms: Atracurium, Tracrium, Atracurium besilate, Atracurium Dibesylate, Prestwick1_000005, Prestwick2_000005, Prestwick3_000005, BSPBio_000009, SPBio_001930, BPBio1_000011, BW-33A, C53H70N2O12, CID47319, BRN 1523633, DB00732, LS-86151, AB00514743, C07548, 33 A 74, Isoquinolinium, 1,2,3,4-tetrahydro-2,2'-(1,5-pentanediylbis(oxy(3-oxo-3,1-propanediyl)))bis(1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-2-methyl-

Molecular Formula: C53H72N2O12+2Molecular Weight: 929.144980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 12

InChIKey: YXSLJKQTIDHPOT-UHFFFAOYSA-N

• Atrasentan
IUPAC Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid | CAS Registry Number: 173937-91-2
Synonyms: Xinlay, Atrasentan [INN], ABT-627, ABT 627, UNII-V6D7VK2215, CHEBI:105200, (11C)ABT-627, CID159594, NSC720763, A-147627, LS-184352, A-127722, C098644, (+)-A 127722, A 127722, A 147627, A-127722.5, (+)-A-127722, 3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxo-5-yl)-1-(2-(dibutylamino)-2-oxoethyl)-2-(4-methoxyphenyl)-, (2R,3R,4S)-, 3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-(2-dibutylamino)-2-oxoethyl)-2-(4-methoxyphenyl)-, (2R-(2alpha,3beta,4alpha))-

Molecular Formula: C29H38N2O6Molecular Weight: 510.621820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: MOTJMGVDPWRKOC-QPVYNBJUSA-N

• AV-412 free base
IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]prop-2-enamide | CAS Registry Number: 451492-95-8
Synonyms: UNII-41OXH4FE7B, SureCN1818495, BCPP000375, HMS3244M15, HMS3244M16, HMS3244N15, ABP000875, RS0030, BCP9000342, NCGC00263195-01, KB-69550, 2-Propenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl)-6-quinazolinyl)-, 2-Propenamide,N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]-, N-(4-(3-chloro-4-fluorophenylamino)-7-(3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl)quinazolin-6-yl)acrylamide

Molecular Formula: C27H28ClFN6OMolecular Weight: 507.002223 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: ZAJXXUDARPGGOC-UHFFFAOYSA-N

• Avagacestat
IUPAC Name: (2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoropentanamide | CAS Registry Number: 1146699-66-2
Synonyms: BMS-708163, BMS 708163, BMS-708163-01, BMS708163, Avagacestat (USAN), Avagacestat [USAN], BMS708163, 1146699-66-2, BMS708163, BMS-708163, S1262_Selleck, Avagacestat [USAN:INN], SureCN310019, UNII-TQ44WWY45Q, cc-297, CHEMBL1090771, BCPP000327, (2R)-2-[N-[(4-CHLOROPHENYL)SULFONYL]-N-[2-FLUORO-4-(1,2,4-OXADIAZOL-3-YL)BENZYL]AMINO]-5,5,5-TRIFLUOROPENTANAMIDE, AKOS005146523, AKOS016016280, BCP9000429, CS-0180

Molecular Formula: C20H17ClF4N4O4SMolecular Weight: 520.884993 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 11

InChIKey: XEAOPVUAMONVLA-QGZVFWFLSA-N

• Avatrombopag
IUPAC Name: 1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]pyridin-2-yl]piperidine-4-carboxylic acid | CAS Registry Number: 570406-98-3
Synonyms: AVATROMBOPAG, AKR-501, E5501, Avatrombopag [USAN], UNII-3H8GSZ4SQL, Avatrombopag (USAN/INN), CHEMBL2103883, YM477, DCL000686, YM 477, AS 1670542, D10306, E 5501, 4-Piperidinecarboxylic acid, 1-(3-chloro-5-(((4-(4-chloro-2-thienyl)-5-(4-cyclohexyl-1-piperazinyl)-2-thiazolyl)amino)carbonyl)-2-pyridinyl)-

Molecular Formula: C29H34Cl2N6O3S2Molecular Weight: 649.654660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: OFZJKCQENFPZBH-UHFFFAOYSA-N

• Axitinib
IUPAC Name: N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide | CAS Registry Number: 319460-85-0
Synonyms: Axitinib [USAN], AG-013736, CID6450551, AG-13736, AG 013736, Benzamide, N-methyl-2-((3-((1E)-2-(2-pyridinyl)ethenyl)-1H-indazo)-6-yl)thio)-, N-methyl-2-((3-((1E)-2-(pyridin-2-yl)ethenyl)-1H-indazol-6-yl)sulfanyl)benzamide, 790713-39-2

Molecular Formula: C22H18N4OSMolecular Weight: 386.469520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: RITAVMQDGBJQJZ-FMIVXFBMSA-N

• Azasetron hydrochloride
IUPAC Name: N-(1-azabicyclo[2.2.2]octan-8-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide hydrochloride | CAS Registry Number: 123040-16-4
Synonyms: Serotone, Azasetron, azasetron hydrochloride, Azasetron HCl, Serotone (TN), Nazasetron hydrochloride, C17H20ClN3O3.HCl, MLS000758245, MLS001424223, Azasetron hydrochloride (JAN), CID115000, CPD000466285, LS-41695, SAM001247082, SMR000466285, Y 25130, D01613, Y-25130, I06-0644, 2H-1,4-Benzoxazine-8-carboxamide, 3,4-dihydro-N-1-azabicyclo(2.2.2)oct-3-yl-6-chloro-4-methyl-3-oxo-, monohydrochloride

Molecular Formula: C17H21Cl2N3O3Molecular Weight: 386.272940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DBMKBKPJYAHLQP-UHFFFAOYSA-N

• AZD 6482
IUPAC Name: 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid | CAS Registry Number: 1173900-33-8
Synonyms: AZD-6482, CHEMBL2165191, AZD6482, (R)-2-(1-(7-methyl-2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl)ethylamino)benzoic acid, PI3-kinase |A inhibitor, AZD6482, 2-[[(1R)-1-[7-Methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino]benzoic acid, 1173900-33-8, AZD 6482, PI3-kinase |A inhibitor, AZD6482, S1462_Selleck, PubChem19330, SureCN1812377, cc-495, ACT06822, ABP000104, AKOS015935014, BCP9000355, CS-0086, PB13704, RL00654, AZD6482-Supplied by Selleck Chemicals

Molecular Formula: C22H24N4O4Molecular Weight: 408.450360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: IRTDIKMSKMREGO-OAHLLOKOSA-N

• AZD-5438
IUPAC Name: 4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine | CAS Registry Number: 602306-29-6
Synonyms: AZD5438, AZD 5438, 4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)pyrimidin-2-amine, AZD-5438, AZD5438, 4-[2-METHYL-1-ISOPROPYL-1H-IMIDAZOL-5-YL]-N-[4-(METHYLSULFONYL)PHENYL]-2-PYRIMIDINAMINE, S2621_Selleck, PubChem19336, SureCN5092360, cc-215, AGN-PC-015B4P, CHEMBL488436, CHEBI:552952, MolPort-008-266-713, BCPP000368, ACN-S001860, ACT06825, AZD5438,AZD 5438, ABP000849, DNC009585, AKOS005145565

Molecular Formula: C18H21N5O2SMolecular Weight: 371.456640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: WJRRGYBTGDJBFX-UHFFFAOYSA-N

• AZD-7762
IUPAC Name: 3-(carbamoylamino)-5-(3-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide | CAS Registry Number: 860352-01-8
Synonyms: AZD7762, AZD 7762, CHEMBL2041933, (S)-5-(3-Fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide, AZD 7762, AZD7762, S1532_Selleck, SureCN1127614, cc-363, UNII-5D822Y3L1H, QCR-261, MolPort-016-633-230, BCPP000366, RS0027, AKOS005266646, BCP9000356, CS-0025, AZD7762-Supplied by Selleck Chemicals, NCGC00242481-01, NCGC00242481-02, HY-10992

Molecular Formula: C17H19FN4O2SMolecular Weight: 362.421763 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: IAYGCINLNONXHY-LBPRGKRZSA-N

• AZD-8055
IUPAC Name: [5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol | CAS Registry Number: 1009298-09-2
Synonyms: AZD8055, AZD 8055, CHEMBL1801204, (5-(2,4-bis((S)-3-methylmorpholino)pyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl)methanol, [5-[2,4-Bis((3S)-3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol, AZD 8055, AZD8055, (5-(2,4-bis((3S)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol, (5-{2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl}-2-methoxyphenyl)methanol, S1555_Selleck, PubChem22586, cc-79, SureCN298416, QCR-7, UNII-970JJ37FPW, CTK3J9362, MolPort-016-633-234, ABP000902, AKOS016009126, AG-I-03420, BCP9000367

Molecular Formula: C25H31N5O4Molecular Weight: 465.544740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: KVLFRAWTRWDEDF-IRXDYDNUSA-N


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