DARUNAVIR, (1R,2S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H37N3O7S
Molecular Weight	547.664
Optical Activity	( - )
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)CN(C[C@H](O)[C@@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)S(=O)(=O)C4=CC=C(N)C=C4

InChI

InChIKey=CJBJHOAVZSMMDJ-QJJBCJIQSA-N

InChI=1S/C27H37N3O7S/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/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:24:46 GMT 2025` Edited by `admin` on `Wed Apr 02 12:24:46 GMT 2025`
Record UNII	9756ZC5ZAG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DARUNAVIR, (1R,2S)-

Common Name

English

(3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL ((2R,3S)-4-((4-AMINO-N-ISOBUTYLPHENYL)SULFONAMIDO)-3-HYDROXY-1-PHENYLBUTAN-2-YL)CARBAMATE

Preferred Name

English

CARBAMIC ACID, N-((1R,2S)-3-(((4-AMINOPHENYL)SULFONYL)(2-METHYLPROPYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-, (3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

9756ZC5ZAG

Created by admin on Wed Apr 02 12:24:46 GMT 2025 , Edited by admin on Wed Apr 02 12:24:46 GMT 2025

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CAS

1402142-63-5

Created by admin on Wed Apr 02 12:24:46 GMT 2025 , Edited by admin on Wed Apr 02 12:24:46 GMT 2025

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PUBCHEM

60170302

Created by admin on Wed Apr 02 12:24:46 GMT 2025 , Edited by admin on Wed Apr 02 12:24:46 GMT 2025

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