Vorbipiprant Sodium

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H26F3N2O3.Na
Molecular Weight	494.4812
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[O-]C(=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=QFXKJKJULRUGNT-ZMBIFBSDSA-M

InChI=1S/C26H27F3N2O3.Na/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);/q;+1/p-1/t21-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C26H26F3N2O3
Molecular Weight	471.4914
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
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 19:55:04 GMT 2025` Edited by `admin` on `Wed Apr 02 19:55:04 GMT 2025`
Record UNII	BZB89X7RJG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Vorbipiprant Sodium

Official Name

English

VORBIPIPRANT SODIUM [USAN]

Preferred Name

English

Sodium (55R)-4-oxo-74-trifluoromethyl-3,56-diaza-1,7(1)-dibenzena-5(5,6)-spiro[2.5]octana-2(1,1)-cyclopropanaheptaphane-14-carboxylate

Systematic Name

English

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

Systematic Name

English

Sodium 4-[1-[[[(5R)-6-[[4-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]oct-5-yl]carbonyl]amino]cyclopropyl]benzoate

Systematic Name

English

Code System Code Type Description

CAS

2502965-93-5