R-330326

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 Search

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)S(=O)(=O)C4=CC(O)=C(N)C=C4

InChI

InChIKey=JHSMVOSDDWDUEW-QSDJZFCLSA-N

InChI=1S/C27H37N3O8S/c1-17(2)14-30(39(34,35)19-8-9-21(28)23(31)13-19)15-24(32)22(12-18-6-4-3-5-7-18)29-27(33)38-25-16-37-26-20(25)10-11-36-26/h3-9,13,17,20,22,24-26,31-32H,10-12,14-16,28H2,1-2H3,(H,29,33)/t20-,22-,24+,25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H37N3O8S
Molecular Weight	563.663
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 `Sat Dec 16 14:53:32 UTC 2023` Edited by `admin` on `Sat Dec 16 14:53:32 UTC 2023`
Record UNII	PBF42439XY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

R-330326

Code

English

DARUNAVIR METABOLITE M29

Common Name

English

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

Systematic Name

English

R330326

Code

English

Code System Code Type Description

PUBCHEM

129627311

Created by admin on Sat Dec 16 14:53:32 UTC 2023 , Edited by admin on Sat Dec 16 14:53:32 UTC 2023

PRIMARY

CAS

1159613-24-7

Created by admin on Sat Dec 16 14:53:32 UTC 2023 , Edited by admin on Sat Dec 16 14:53:32 UTC 2023

PRIMARY

FDA UNII

PBF42439XY

Created by admin on Sat Dec 16 14:53:32 UTC 2023 , Edited by admin on Sat Dec 16 14:53:32 UTC 2023

PRIMARY

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