17-DESMETHYL VOXILAPREVIR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H50F4N6O9S
Molecular Weight	854.908
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CN([C@@H]([C@@H]1CC)C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4(C)CC4)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCC(F)(F)C6=NC7=CC=C(O)C=C7N=C6O2)C(C)(C)C

InChI

InChIKey=RHYSRNSDZIVMMW-GMZSKHLOSA-N

InChI=1S/C39H50F4N6O9S/c1-6-21-26-18-49(27(21)31(51)47-38(17-22(38)30(40)41)34(53)48-59(55,56)37(5)13-14-37)33(52)29(36(2,3)4)46-35(54)58-25-15-19(25)9-7-8-12-39(42,43)28-32(57-26)45-24-16-20(50)10-11-23(24)44-28/h10-11,16,19,21-22,25-27,29-30,50H,6-9,12-15,17-18H2,1-5H3,(H,46,54)(H,47,51)(H,48,53)/t19-,21-,22+,25-,26+,27+,29-,38-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C39H50F4N6O9S
Molecular Weight	854.908
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:37:16 GMT 2023` Edited by `admin` on `Sat Dec 16 14:37:16 GMT 2023`
Record UNII	8GK2CZ2M2B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

17-DESMETHYL VOXILAPREVIR

Common Name

English

VOXILAPREVIR METABOLITE M23

Common Name

English

(33R,34S,35S,91R,92R,5S)-5-(TERT-BUTYL)-N-((1R,2R)-2-(DIFLUOROMETHYL)-1-(((1-METHYLCYCLOPROPYL)SULFONYL)CARBAMOYL)CYCLOPROPYL)-34-ETHYL-14,14-DIFLUORO-17-HYDROXY-4,7-DIOXO-2,8-DIOXA-6-AZA-1(2,3)-QUINOXALINA-3(3,1)-PYRROLIDINA-9(1,2)-CYCLOPROPANACYCLOTETR

Systematic Name

English

Code System Code Type Description

PUBCHEM

139593486

Created by admin on Sat Dec 16 14:37:16 GMT 2023 , Edited by admin on Sat Dec 16 14:37:16 GMT 2023

PRIMARY

FDA UNII

8GK2CZ2M2B

Created by admin on Sat Dec 16 14:37:16 GMT 2023 , Edited by admin on Sat Dec 16 14:37:16 GMT 2023

PRIMARY

Related Record Type Details

0570F37359

VOXILAPREVIR

PARENT -> METABOLITE

Qualification:

FECAL