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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H29F3N2O3
Molecular Weight 558.5902
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (+)-(R)-?-Phenyl-4-[4-[[[4?-(trifluoromethyl)[1,1?-biphenyl]-2-yl]carbonyl]amino]phenyl]-1-piperidineacetic acid

SMILES

OC(=O)[C@H](N1CCC(CC1)C2=CC=C(NC(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F)C=C2)C5=CC=CC=C5

InChI

InChIKey=BRWUCTKMCKZTRH-SSEXGKCCSA-N
InChI=1S/C33H29F3N2O3/c34-33(35,36)26-14-10-24(11-15-26)28-8-4-5-9-29(28)31(39)37-27-16-12-22(13-17-27)23-18-20-38(21-19-23)30(32(40)41)25-6-2-1-3-7-25/h1-17,23,30H,18-21H2,(H,37,39)(H,40,41)/t30-/m1/s1

HIDE SMILES / InChI

Molecular Formula C33H29F3N2O3
Molecular Weight 558.5902
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 19:48:44 GMT 2025
Edited
by admin
on Wed Apr 02 19:48:44 GMT 2025
Record UNII
SCA399RD7A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Usistapide acid metabolite
Preferred Name English
(+)-(R)-?-Phenyl-4-[4-[[[4?-(trifluoromethyl)[1,1?-biphenyl]-2-yl]carbonyl]amino]phenyl]-1-piperidineacetic acid
Systematic Name English
(2R)-2-Phenyl-2-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]piperidin-1-yl]acetic acid
Systematic Name English
Code System Code Type Description
FDA UNII
SCA399RD7A
Created by admin on Wed Apr 02 19:48:44 GMT 2025 , Edited by admin on Wed Apr 02 19:48:44 GMT 2025
PRIMARY
PUBCHEM
66837765
Created by admin on Wed Apr 02 19:48:44 GMT 2025 , Edited by admin on Wed Apr 02 19:48:44 GMT 2025
PRIMARY
CAS
471245-98-4
Created by admin on Wed Apr 02 19:48:44 GMT 2025 , Edited by admin on Wed Apr 02 19:48:44 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
Formed in Liver