U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H27F3N2O3
Molecular Weight 472.4994
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Vorbipiprant

SMILES

OC(=O)C1=CC=C(C=C1)C2(CC2)NC(=O)[C@H]3CC4(CC4)CCN3CC5=CC=C(C=C5)C(F)(F)F

InChI

InChIKey=CADWTPLFEZSAHM-OAQYLSRUSA-N
InChI=1S/C26H27F3N2O3/c27-26(28,29)20-5-1-17(2-6-20)16-31-14-13-24(9-10-24)15-21(31)22(32)30-25(11-12-25)19-7-3-18(4-8-19)23(33)34/h1-8,21H,9-16H2,(H,30,32)(H,33,34)/t21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H27F3N2O3
Molecular Weight 472.4994
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 Tue Apr 01 22:48:40 GMT 2025
Edited
by admin
on Tue Apr 01 22:48:40 GMT 2025
Record UNII
SS2LQQ8094
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CR-6086
Preferred Name English
Vorbipiprant
INN  
Official Name English
4-[1-[[[(5R)-6-[[4-(Trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]oct-5-yl]carbonyl]amino]cyclopropyl]benzoic acid
Systematic Name English
CR6086
Code English
vorbipiprant [INN]
Common Name English
(5<sup>5</sup>R)-4-oxo-7<sup>4</sup>-trifluoromethyl-3,5<sup>6</sup>-diaza-1,7(1)-dibenzena-5(5,6)-spiro[2.5]octana-2(1,1)-cyclopropanaheptaphane-1<sup>4</sup>-carboxylic acid
Systematic Name English
VORBIPIPRANT [USAN]
Common Name English
Benzoic acid, 4-[1-[[[(5R)-6-[[4-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]oct-5-yl]carbonyl]amino]cyclopropyl]-
Systematic Name English
CR 6086 [WHO-DD]
Common Name English
Code System Code Type Description
CAS
2502965-92-4
Created by admin on Tue Apr 01 22:48:40 GMT 2025 , Edited by admin on Tue Apr 01 22:48:40 GMT 2025
PRIMARY
INN
12633
Created by admin on Tue Apr 01 22:48:40 GMT 2025 , Edited by admin on Tue Apr 01 22:48:40 GMT 2025
PRIMARY
FDA UNII
SS2LQQ8094
Created by admin on Tue Apr 01 22:48:40 GMT 2025 , Edited by admin on Tue Apr 01 22:48:40 GMT 2025
PRIMARY
NCI_THESAURUS
C186659
Created by admin on Tue Apr 01 22:48:40 GMT 2025 , Edited by admin on Tue Apr 01 22:48:40 GMT 2025
PRIMARY
SMS_ID
300000041487
Created by admin on Tue Apr 01 22:48:40 GMT 2025 , Edited by admin on Tue Apr 01 22:48:40 GMT 2025
PRIMARY
PUBCHEM
133081958
Created by admin on Tue Apr 01 22:48:40 GMT 2025 , Edited by admin on Tue Apr 01 22:48:40 GMT 2025
PRIMARY
USAN
MN-178
Created by admin on Tue Apr 01 22:48:40 GMT 2025 , Edited by admin on Tue Apr 01 22:48:40 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
RACEMATE -> ENANTIOMER
TARGET -> INHIBITOR
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Related Record Type Details
ACTIVE MOIETY