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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H45F4N5O8
Molecular Weight 751.7648
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DES-(METHYLCYCLOPROPYLSULFONAMIDE)-VOXILAPREVIR

SMILES

CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]3(C[C@H]3C(F)F)C(O)=O)C(=O)[C@@H](NC(=O)O[C@@H]4C[C@H]4CCCCC(F)(F)C5=C(O2)N=C6C=C(OC)C=CC6=N5)C(C)(C)C

InChI

InChIKey=XWKBFIWNEBQUKB-HITKRFSDSA-N
InChI=1S/C36H45F4N5O8/c1-6-19-24-16-45(25(19)29(46)44-35(32(48)49)15-20(35)28(37)38)31(47)27(34(2,3)4)43-33(50)53-23-13-17(23)9-7-8-12-36(39,40)26-30(52-24)42-22-14-18(51-5)10-11-21(22)41-26/h10-11,14,17,19-20,23-25,27-28H,6-9,12-13,15-16H2,1-5H3,(H,43,50)(H,44,46)(H,48,49)/t17-,19-,20+,23-,24+,25+,27-,35-/m1/s1

HIDE SMILES / InChI

Molecular Formula C36H45F4N5O8
Molecular Weight 751.7648
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 Wed Apr 02 12:18:42 GMT 2025
Edited
by admin
on Wed Apr 02 12:18:42 GMT 2025
Record UNII
DRH4W20GAD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DES-(METHYLCYCLOPROPYLSULFONAMIDE)-VOXILAPREVIR
Common Name English
VOXILAPREVIR METABOLITE M19
Preferred Name English
(1R,2R)-1-((33R,34S,35S,91R,92R,5S)-5-(TERT-BUTYL)-34-ETHYL-14,14-DIFLUORO-17-METHOXY-4,7-DIOXO-2,8-DIOXA-6-AZA-1(2,3)-QUINOXALINA-3(3,1)-PYRROLIDINA-9(1,2)-CYCLOPROPANACYCLOTETRADECAPHANE-35-CARBOXAMIDO)-2-(DIFLUOROMETHYL)CYCLOPROPANE-1-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
DRH4W20GAD
Created by admin on Wed Apr 02 12:18:42 GMT 2025 , Edited by admin on Wed Apr 02 12:18:42 GMT 2025
PRIMARY
PUBCHEM
154925831
Created by admin on Wed Apr 02 12:18:42 GMT 2025 , Edited by admin on Wed Apr 02 12:18:42 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL