Vorbipiprant, (S)-

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 Search

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-NRFANRHFSA-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-/m0/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 `Wed Apr 02 21:04:23 GMT 2025` Edited by `admin` on `Wed Apr 02 21:04:23 GMT 2025`
Record UNII	MS63CR74RS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Vorbipiprant, (S)-

Common Name

English

4-[1-[[[(5S)-6-[[4-(Trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]oct-5-yl]carbonyl]amino]cyclopropyl]benzoic acid

Preferred Name

English

Benzoic acid, 4-[1-[[[(5S)-6-[[4-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]oct-5-yl]carbonyl]amino]cyclopropyl]-

Systematic Name

English

Code System Code Type Description

PUBCHEM

134687165

Created by admin on Wed Apr 02 21:04:23 GMT 2025 , Edited by admin on Wed Apr 02 21:04:23 GMT 2025

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FDA UNII

MS63CR74RS

Created by admin on Wed Apr 02 21:04:23 GMT 2025 , Edited by admin on Wed Apr 02 21:04:23 GMT 2025

PRIMARY

CAS

2733814-89-4

Created by admin on Wed Apr 02 21:04:23 GMT 2025 , Edited by admin on Wed Apr 02 21:04:23 GMT 2025

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