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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H26N6O3
Molecular Weight 458.5123
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Butyl-1,6-dihydro-4-methyl-6-oxo-1-[[2?-(2H-tetrazol-5-yl)[1,1?-biphenyl]-4-yl]methyl]-5-pyrimidineacetic acid

SMILES

CCCCC1=NC(C)=C(CC(O)=O)C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4

InChI

InChIKey=SFYJUVQABJLSPV-UHFFFAOYSA-N
InChI=1S/C25H26N6O3/c1-3-4-9-22-26-16(2)21(14-23(32)33)25(34)31(22)15-17-10-12-18(13-11-17)19-7-5-6-8-20(19)24-27-29-30-28-24/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,32,33)(H,27,28,29,30)

HIDE SMILES / InChI

Molecular Formula C25H26N6O3
Molecular Weight 458.5123
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:50:20 GMT 2025
Edited
by admin
on Wed Apr 02 20:50:20 GMT 2025
Record UNII
K8PQ2QZP9W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Fimasartan M6 metabolite
Preferred Name English
2-Butyl-1,6-dihydro-4-methyl-6-oxo-1-[[2?-(2H-tetrazol-5-yl)[1,1?-biphenyl]-4-yl]methyl]-5-pyrimidineacetic acid
Systematic Name English
5-Pyrimidineacetic acid, 2-butyl-1,6-dihydro-4-methyl-6-oxo-1-[[2?-(2H-tetrazol-5-yl)[1,1?-biphenyl]-4-yl]methyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
K8PQ2QZP9W
Created by admin on Wed Apr 02 20:50:20 GMT 2025 , Edited by admin on Wed Apr 02 20:50:20 GMT 2025
PRIMARY
PUBCHEM
44213342
Created by admin on Wed Apr 02 20:50:20 GMT 2025 , Edited by admin on Wed Apr 02 20:50:20 GMT 2025
PRIMARY
CAS
178554-16-0
Created by admin on Wed Apr 02 20:50:20 GMT 2025 , Edited by admin on Wed Apr 02 20:50:20 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE