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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H37N3O8S
Molecular Weight 563.663
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Hydroxy darunavir

SMILES

[H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](CC3=CC=CC=C3)[C@H](O)CN(CC(C)(C)O)S(=O)(=O)C4=CC=C(N)C=C4

InChI

InChIKey=XGXCRIIMIUNTCF-ARXROMJUSA-N
InChI=1S/C27H37N3O8S/c1-27(2,33)17-30(39(34,35)20-10-8-19(28)9-11-20)15-23(31)22(14-18-6-4-3-5-7-18)29-26(32)38-24-16-37-25-21(24)12-13-36-25/h3-11,21-25,31,33H,12-17,28H2,1-2H3,(H,29,32)/t21-,22-,23+,24-,25+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Hydroxy darunavir
Common Name English
Carbamic acid, N-[3-[[(4-aminophenyl)sulfonyl](2-hydroxy-2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, hexahydrofuro[2,3-b]furan-3-yl ester
Systematic Name English
CARBAMIC ACID, N-((1S,2R)-3-(((4-AMINOPHENYL)SULFONYL)(2-HYDROXY-2-METHYLPROPYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-, (3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL ESTER
Systematic Name English
DARUNAVIR METABOLITE M23
Common Name English
Hexahydrofuro[2,3-b]furan-3-yl N-[3-[[(4-aminophenyl)sulfonyl](2-hydroxy-2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate
Systematic Name English
R-426857
Code English
R426857
Code English
Code System Code Type Description
EPA CompTox
DTXSID20857750
Created by admin on Sat Dec 16 14:35:10 GMT 2023 , Edited by admin on Sat Dec 16 14:35:10 GMT 2023
PRIMARY
CAS
1809154-88-8
Created by admin on Sat Dec 16 14:35:10 GMT 2023 , Edited by admin on Sat Dec 16 14:35:10 GMT 2023
PRIMARY
PUBCHEM
71748962
Created by admin on Sat Dec 16 14:35:10 GMT 2023 , Edited by admin on Sat Dec 16 14:35:10 GMT 2023
PRIMARY
CAS
1130635-75-4
Created by admin on Sat Dec 16 14:35:10 GMT 2023 , Edited by admin on Sat Dec 16 14:35:10 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
US8D8UZX05
Created by admin on Sat Dec 16 14:35:10 GMT 2023 , Edited by admin on Sat Dec 16 14:35:10 GMT 2023
PRIMARY