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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H56FNO2
Molecular Weight 565.8444
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FIPRAVIRIMAT M9 Metabolite

SMILES

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

InChI

InChIKey=HOYSWVGXXGVMEQ-ZBPUKUGESA-N
InChI=1S/C37H56FNO2/c1-23(2)25-12-19-37(39)21-20-34(6)27(30(25)37)8-9-29-33(5)15-13-26(32(3,4)28(33)14-16-35(29,34)7)24-10-17-36(22-38,18-11-24)31(40)41/h10,13,25,27-30H,1,8-9,11-12,14-22,39H2,2-7H3,(H,40,41)/t25-,27+,28-,29+,30+,33-,34+,35+,36+,37-/m0/s1

HIDE SMILES / InChI

Molecular Formula C37H56FNO2
Molecular Weight 565.8444
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 14:35:17 GMT 2025
Edited
by admin
on Wed Apr 02 14:35:17 GMT 2025
Record UNII
BK7S72622D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FIPRAVIRIMAT M9 Metabolite
Common Name English
GSK3640254 N-dealkyl metabolite
Preferred Name English
Code System Code Type Description
FDA UNII
BK7S72622D
Created by admin on Wed Apr 02 14:35:17 GMT 2025 , Edited by admin on Wed Apr 02 14:35:17 GMT 2025
PRIMARY
PUBCHEM
132181847
Created by admin on Wed Apr 02 14:35:17 GMT 2025 , Edited by admin on Wed Apr 02 14:35:17 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Name Property Type Amount Referenced Substance Defining Parameters References
Volume of Distribution PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC