U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C49H77FN2O9S
Molecular Weight 889.207
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FIPRAVIRIMAT M1 Metabolite

SMILES

[H][C@]12[C@@H](CC[C@@]1(CC[C@]3(C)[C@]2([H])CC[C@]4([H])[C@@]5(C)CC=C(C6=CC[C@](CF)(CC6)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@]5([H])CC[C@@]34C)NCCN8CCS(=O)(=O)CC8)C(C)=C

InChI

InChIKey=GAIICOUZJLZLEU-KLKNJKQTSA-N
InChI=1S/C49H77FN2O9S/c1-30(2)32-12-19-49(51-22-23-52-24-26-62(58,59)27-25-52)21-20-46(6)34(38(32)49)8-9-37-45(5)15-13-33(44(3,4)36(45)14-16-47(37,46)7)31-10-17-48(29-50,18-11-31)43(57)61-42-41(56)40(55)39(54)35(28-53)60-42/h10,13,32,34-42,51,53-56H,1,8-9,11-12,14-29H2,2-7H3/t32-,34+,35+,36-,37+,38+,39+,40-,41+,42-,45-,46+,47+,48+,49-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
FIPRAVIRIMAT M1 Metabolite
Common Name English
GSK3640254 acyl glucuronide conjugate
Common Name English
Code System Code Type Description
PUBCHEM
167713266
Created by admin on Sat Dec 16 19:29:47 GMT 2023 , Edited by admin on Sat Dec 16 19:29:47 GMT 2023
PRIMARY
FDA UNII
CHV9PM6LNM
Created by admin on Sat Dec 16 19:29:47 GMT 2023 , Edited by admin on Sat Dec 16 19:29:47 GMT 2023
PRIMARY