CAS Number
Molecular Formula
C33H45N3O13S
Product format
Neat
Molecular Weight
723.80
API Family
Synonyms
1159613-27-0; Darunavir metabolite M20; H2IG33O2AN; DARUNAVIR O-BETA-D-GLUCURONIDE; (2S, 3S, 4S, 5R, 6R)-6-[(2R, 3S)-3-[[(3aS, 4R, 6aR)-2, 3, 3a, 4, 5, 6a-hexahydrofuro[2, 3-b]furan-4-yl]oxycarbonylamino]-1-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-4-phenylbutan-2-yl]oxy-3, 4, 5-trihydroxyoxane-2-carboxylic acid; Darunavir O-|A-D-Glucuronide; Darunavir-O-Glucuronide; UNII-H2IG33O2AN; DTXSID50747418; (1R, 2S)-1-((((4-AMINOPHENYL)SULFONYL)(2-METHYLPROPYL)AMINO)METHYL)-2-(((((3R, 3AS, 6AR)-HEXAHYDROFURO(2, 3-B)FURAN-3-YL)OXY)CARBONYL)AMINO)-3-PHENYLPROPYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID; (1R, 2S)-1-((((4-Aminophenyl)sulfonyl)(2-methylpropyl)amino)methyl)-2-(((((3R, 3aS, 6aR)-hexahydrofuro(2, 3-b)furan-3-yl)oxy)carbonyl)amino)-3-phenylpropyl beta-D-glucopyranosiduronic acid; (2R, 3S)-1-[(4-Aminobenzene-1-sulfonyl)(2-methylpropyl)amino]-3-[({[(3R, 3aS, 6aR)-hexahydrofuro[2, 3-b]furan-3-yl]oxy}carbonyl)amino]-4-phenylbutan-2-yl beta-D-glucopyranosiduronic acid; .BETA.-D-GLUCOPYRANOSIDURONIC ACID, (1R, 2S)-1-((((4-AMINOPHENYL)SULFONYL)(2-METHYLPROPYL)AMINO)METHYL)-2-(((((3R, 3AS, 6AR)-HEXAHYDROFURO(2, 3-B)FURAN-3-YL)OXY)CARBONYL)AMINO)-3-PHENYLPROPYL; beta-D-Glucopyranosiduronic acid, (1R, 2S)-1-((((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)methyl)-2-(((((3R, 3aS, 6aR)-hexahydrofuro(2 and 3-b)furan-3-yl)oxy)carbonyl)amino)-3-phenylpropyl
Iupac Name
(2S, 3S, 4S, 5R, 6R)-6-[(2R, 3S)-3-[[(3aS, 4R, 6aR)-2, 3, 3a, 4, 5, 6a-hexahydrofuro[2, 3-b]furan-4-yl]oxycarbonylamino]-1-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-4-phenylbutan-2-yl]oxy-3, 4 and 5-trihydroxyoxane-2-carboxylic acid
InChI
InChI=1S/C33H45N3O13S/c1-18(2)15-36(50(43,44)21-10-8-20(34)9-11-21)16-24(47-32-28(39)26(37)27(38)29(49-32)30(40)41)23(14-19-6-4-3-5-7-19)35-33(42)48-25-17-46-31-22(25)12-13-45-31/h3-11,18,22-29,31-32,37-39H,12-17,34H2,1-2H3,(H,35,42)(H,40,41)/t22-,23-,24+,25-,26-,27-,28+,29-,31+,32+/m0/s1
