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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H37N3O7S.C2H6O
Molecular Weight 593.732
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DARUNAVIR ETHANOLATE

SMILES

CCO.[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=QWSHKNICRJHQCY-VBTXLZOXSA-N
InChI=1S/C27H37N3O7S.C2H6O/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;1-2-3/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32);3H,2H2,1H3/t22-,23-,24+,25-,26+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C2H6O
Molecular Weight 46.0684
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:46:56 UTC 2023
Edited
by admin
on Fri Dec 15 15:46:56 UTC 2023
Record UNII
33O78XF0BW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DARUNAVIR ETHANOLATE
JAN   MART.   ORANGE BOOK   VANDF   WHO-DD  
Common Name English
PREZISTA
Brand Name English
(3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL ((1S,2R)-3-(((4-AMINOPHENYL)SULFONYL)(ISOBUTYL)AMINO)-1-BENZYL-2-HYDROXYPROPYL)CARBAMATE - ETHANOL (1:1)
Common Name English
DARUNAVIR MONOETHANOLATE [MI]
Common Name English
Darunavir Ethanolate [WHO-DD]
Common Name English
REZOLSTA
Brand Name English
CARBAMIC ACID, ((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 ETHANOL (1:1)
Common Name English
DARUNAVIR ETHANOLATE [JAN]
Common Name English
DARUNAVIR (AS ETHANOLATE)
Common Name English
TMC114 ETHANOLATE
Common Name English
DARUNAVIR COMPONENT OF SYMTUZA
Common Name English
((1S,2R)-3-(((4-AMINOPHENYL)SULFONYL)(2-METHYLPROPYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)- CARBAMIC ACID (3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL ESTER MONOETHANOLATE
Common Name English
DARUNAVIR ETHANOLATE [ORANGE BOOK]
Common Name English
DARUNAVIR ETHANOLATE [VANDF]
Common Name English
SYMTUZA COMPONENT DARUNAVIR
Common Name English
PREZCOBIX COMPONENT DARUNAVIR ETHANOLATE
Brand Name English
DARUNAVIR MONOETHANOLATE
MI  
Common Name English
DARUNAVIR ETHANOLATE [MART.]
Common Name English
DARUNAVIR ETHANOLATE COMPONENT OF PREZCOBIX
Brand Name English
Classification Tree Code System Code
EMA ASSESSMENT REPORTS REZOLSTA (AUTHORIZED: HIV INFECTIONS)
Created by admin on Fri Dec 15 15:46:56 UTC 2023 , Edited by admin on Fri Dec 15 15:46:56 UTC 2023
NCI_THESAURUS C783
Created by admin on Fri Dec 15 15:46:56 UTC 2023 , Edited by admin on Fri Dec 15 15:46:56 UTC 2023
EMA ASSESSMENT REPORTS PREZISTA (AUTHORIZED: HIV INFECTIONS)
Created by admin on Fri Dec 15 15:46:56 UTC 2023 , Edited by admin on Fri Dec 15 15:46:56 UTC 2023
Code System Code Type Description
PUBCHEM
23725083
Created by admin on Fri Dec 15 15:46:56 UTC 2023 , Edited by admin on Fri Dec 15 15:46:56 UTC 2023
PRIMARY
MERCK INDEX
m4099
Created by admin on Fri Dec 15 15:46:56 UTC 2023 , Edited by admin on Fri Dec 15 15:46:56 UTC 2023
PRIMARY Merck Index
RXCUI
644682
Created by admin on Fri Dec 15 15:46:56 UTC 2023 , Edited by admin on Fri Dec 15 15:46:56 UTC 2023
PRIMARY RxNorm
FDA UNII
33O78XF0BW
Created by admin on Fri Dec 15 15:46:56 UTC 2023 , Edited by admin on Fri Dec 15 15:46:56 UTC 2023
PRIMARY
DAILYMED
33O78XF0BW
Created by admin on Fri Dec 15 15:46:56 UTC 2023 , Edited by admin on Fri Dec 15 15:46:56 UTC 2023
PRIMARY
DRUG BANK
DBSALT001338
Created by admin on Fri Dec 15 15:46:56 UTC 2023 , Edited by admin on Fri Dec 15 15:46:56 UTC 2023
PRIMARY
EVMPD
SUB23573
Created by admin on Fri Dec 15 15:46:56 UTC 2023 , Edited by admin on Fri Dec 15 15:46:56 UTC 2023
PRIMARY
SMS_ID
100000091852
Created by admin on Fri Dec 15 15:46:56 UTC 2023 , Edited by admin on Fri Dec 15 15:46:56 UTC 2023
PRIMARY
ChEMBL
CHEMBL1323
Created by admin on Fri Dec 15 15:46:56 UTC 2023 , Edited by admin on Fri Dec 15 15:46:56 UTC 2023
PRIMARY
CAS
635728-49-3
Created by admin on Fri Dec 15 15:46:56 UTC 2023 , Edited by admin on Fri Dec 15 15:46:56 UTC 2023
PRIMARY
NCI_THESAURUS
C77389
Created by admin on Fri Dec 15 15:46:56 UTC 2023 , Edited by admin on Fri Dec 15 15:46:56 UTC 2023
PRIMARY
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ANHYDROUS->SOLVATE
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ACTIVE MOIETY