Product Information
Chemical Formula: | C35H46ClN5O9S |
---|---|
Molecular Weight: | 748.29 |
Synonyms: | (1R,2S)-N-[(1,1-Dimethylethoxy)carbonyl]-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2-ethenylcyclopropanecarboxamide; Asunaprevir; BMS 650032; Asunaprevir (BMS-650032); BMS 650032/Asunaprevir; Asunaprevir API |
MDL No.: | MFCD27987900 |
EINECS / EC No.: | 259-414-7 |
Pubchem CID: | 16076883 |
IUPAC Name: | tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yl)oxy-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate |
Standard InchI: | InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1 |
InchI Key: | XRWSZZJLZRKHHD-WVWIJVSJSA-N |
SMILES: | CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC=C(C5=C4C=C(C=C5)Cl)OC)NC(=O)OC(C)(C)C |
Appearance: | - |
Melting Point: | N/A |
Boiling Point: | N/A |
Density (Theoretical): | 1.37 |
Safety Information
Signal Word: | Warning |
---|---|
Hazard Statements: | H302-H315-H319-H335 |
Precautionary Statements: | P261-P305+P351+P338 |
Transportation Information: | N/A |
GHS Pictograms: |