4,4'-(Carbonylbis(azanediyl))bis(3-(4-chlorophenyl)butanoic Acid)

Details

Stereochemistry	MIXED
Molecular Formula	C21H22Cl2N2O5
Molecular Weight	453.316
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,4'-(Carbonylbis(azanediyl))bis(3-(4-chlorophenyl)butanoic Acid)

Structure Search

SMILES

OC(=O)CC(CNC(=O)NCC(CC(O)=O)C1=CC=C(Cl)C=C1)C2=CC=C(Cl)C=C2

InChI

InChIKey=PDVDNZQYQUPGPJ-UHFFFAOYSA-N

InChI=1S/C21H22Cl2N2O5/c22-17-5-1-13(2-6-17)15(9-19(26)27)11-24-21(30)25-12-16(10-20(28)29)14-3-7-18(23)8-4-14/h1-8,15-16H,9-12H2,(H,26,27)(H,28,29)(H2,24,25,30)

HIDE SMILES / InChI

Molecular Formula	C21H22Cl2N2O5
Molecular Weight	453.316
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 16:58:29 GMT 2025` Edited by `admin` on `Wed Apr 02 16:58:29 GMT 2025`
Record UNII	TD6CV2RU6C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4,4'-(Carbonylbis(azanediyl))bis(3-(4-chlorophenyl)butanoic Acid)

Systematic Name

English

Di-baclofen Urea

Preferred Name

English

Code System Code Type Description

FDA UNII

TD6CV2RU6C

Created by admin on Wed Apr 02 16:58:29 GMT 2025 , Edited by admin on Wed Apr 02 16:58:29 GMT 2025

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PUBCHEM

168429500

Created by admin on Wed Apr 02 16:58:29 GMT 2025 , Edited by admin on Wed Apr 02 16:58:29 GMT 2025

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CAS

2726264-10-2

Created by admin on Wed Apr 02 16:58:29 GMT 2025 , Edited by admin on Wed Apr 02 16:58:29 GMT 2025

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