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Details

Stereochemistry ABSOLUTE
Molecular Formula C39H50F4N6O9S
Molecular Weight 854.9103
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17-DESMETHYL VOXILAPREVIR

SMILES

CC[C@]1([H])[C@]2([H])CN([C@]1([H])C(=N[C@@]3(C[C@@]3([H])C(F)F)C(=NS(=O)(=O)C4(C)CC4)O)O)C(=O)[C@]([H])(C(C)(C)C)N=C(O)O[C@]5([H])C[C@@]5([H])CCCCC(c6c(nc7cc(ccc7n6)O)O2)(F)F

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 854.9103
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 Jun 26 04:11:40 UTC 2021
Edited
by admin
on Sat Jun 26 04:11:40 UTC 2021
Record UNII
8GK2CZ2M2B
Record Status Validated (UNII)
Record Version
  • Download
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 Jun 26 04:11:40 UTC 2021 , Edited by admin on Sat Jun 26 04:11:40 UTC 2021
PRIMARY
FDA UNII
8GK2CZ2M2B
Created by admin on Sat Jun 26 04:11:40 UTC 2021 , Edited by admin on Sat Jun 26 04:11:40 UTC 2021
PRIMARY
Related Record Type Details
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