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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H24FN3O4S
Molecular Weight 493.55
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[[(2S)-1-[[5-(4-Fluorophenyl)-2-methyl-4-thiazolyl]carbonyl]-2-piperidinyl]methyl]-2-hydroxy-4-benzofurancarboxamide

SMILES

CC1=NC(C(=O)N2CCCC[C@H]2CNC(=O)C3=CC=CC4=C3C=C(O)O4)=C(S1)C5=CC=C(F)C=C5

InChI

InChIKey=HXLKJUZPBMMLQH-SFHVURJKSA-N
InChI=1S/C26H24FN3O4S/c1-15-29-23(24(35-15)16-8-10-17(27)11-9-16)26(33)30-12-3-2-5-18(30)14-28-25(32)19-6-4-7-21-20(19)13-22(31)34-21/h4,6-11,13,18,31H,2-3,5,12,14H2,1H3,(H,28,32)/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H24FN3O4S
Molecular Weight 493.55
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 07:05:05 GMT 2025
Edited
by admin
on Wed Apr 02 07:05:05 GMT 2025
Record UNII
TYH4AZS34K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SB-649868 METABOLITE M86
Preferred Name English
N-[[(2S)-1-[[5-(4-Fluorophenyl)-2-methyl-4-thiazolyl]carbonyl]-2-piperidinyl]methyl]-2-hydroxy-4-benzofurancarboxamide
Systematic Name English
N-(((2S)-1-(5-(4-FLUOROPHENYL)-2-METHYL-THIAZOLE-4-CARBONYL)-2-PIPERIDYL)METHYL)-2-HYDROXY-BENZOFURAN-4-CARBOXAMIDE
Systematic Name English
4-Benzofurancarboxamide, N-[[(2S)-1-[[5-(4-fluorophenyl)-2-methyl-4-thiazolyl]carbonyl]-2-piperidinyl]methyl]-2-hydroxy-
Systematic Name English
Code System Code Type Description
CAS
2649972-36-9
Created by admin on Wed Apr 02 07:05:05 GMT 2025 , Edited by admin on Wed Apr 02 07:05:05 GMT 2025
PRIMARY
PUBCHEM
118753126
Created by admin on Wed Apr 02 07:05:05 GMT 2025 , Edited by admin on Wed Apr 02 07:05:05 GMT 2025
PRIMARY
FDA UNII
TYH4AZS34K
Created by admin on Wed Apr 02 07:05:05 GMT 2025 , Edited by admin on Wed Apr 02 07:05:05 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
(<1% of the administered dose)
URINE