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

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
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SALT/SOLVATE -> PARENT
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TARGET -> INHIBITOR
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ACTIVE MOIETY