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Details

Stereochemistry EPIMERIC
Molecular Formula C27H37N3O7S.C3H8O2
Molecular Weight 623.758
Optical Activity ( - )
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DARUNAVIR PROPYLENE GLYCOLATE

SMILES

CC(O)CO.[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)S(=O)(=O)C4=CC=C(N)C=C4

InChI

InChIKey=LMVMDGVDHYKETG-VBTXLZOXSA-N
InChI=1S/C27H37N3O7S.C3H8O2/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26;1-3(5)2-4/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32);3-5H,2H2,1H3/t22-,23-,24+,25-,26+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C27H37N3O7S
Molecular Weight 547.664
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C3H8O2
Molecular Weight 76.0944
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:26:51 UTC 2023
Edited
by admin
on Sat Dec 16 10:26:51 UTC 2023
Record UNII
6M6D7F3VC7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DARUNAVIR PROPYLENE GLYCOLATE
Common Name English
Darunavir propylene glycolate [WHO-DD]
Common Name English
CARBAMIC ACID, N-((1S,2R)-3-(((4-AMINOPHENYL)SULFONYL)(2-METHYLPROPYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-, (3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL ESTER, COMPD. WITH 1,2-PROPANEDIOL (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
71666654
Created by admin on Sat Dec 16 10:26:51 UTC 2023 , Edited by admin on Sat Dec 16 10:26:51 UTC 2023
PRIMARY
FDA UNII
6M6D7F3VC7
Created by admin on Sat Dec 16 10:26:51 UTC 2023 , Edited by admin on Sat Dec 16 10:26:51 UTC 2023
PRIMARY
SMS_ID
100000170431
Created by admin on Sat Dec 16 10:26:51 UTC 2023 , Edited by admin on Sat Dec 16 10:26:51 UTC 2023
PRIMARY
CAS
1447721-06-3
Created by admin on Sat Dec 16 10:26:51 UTC 2023 , Edited by admin on Sat Dec 16 10:26:51 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY