Bendamustine Deschloro Dimer Impurity

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H44N6O7
Molecular Weight	624.7278
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Bendamustine Deschloro Dimer Impurity

Structure Search

SMILES

CN1C(CCCC(O)=O)=NC2=CC(=CC=C12)N(CCO)CCOC(=O)CCCC3=NC4=C(C=CC(=C4)N(CCO)CCO)N3C

InChI

InChIKey=VHWAIJZTTMEEBD-UHFFFAOYSA-N

InChI=1S/C32H44N6O7/c1-35-28-12-10-24(22-26(28)33-29(35)5-3-7-31(42)43)38(15-19-41)16-20-45-32(44)8-4-6-30-34-25-21-23(9-11-27(25)36(30)2)37(13-17-39)14-18-40/h9-12,21-22,39-41H,3-8,13-20H2,1-2H3,(H,42,43)

HIDE SMILES / InChI

Molecular Formula	C32H44N6O7
Molecular Weight	624.7278
Charge	0
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 17:31:59 GMT 2025` Edited by `admin` on `Wed Apr 02 17:31:59 GMT 2025`
Record UNII	D4HUU9Z8WY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Bendamustine Deschloro Dimer Impurity

Common Name

English

1H-Benzimidazole-2-butanoic acid, 5-[bis(2-hydroxyethyl)amino]-1-methyl-, 2-[[2-(3-carboxypropyl)-1-methyl-1H-benzimidazol-5-yl](2-hydroxyethyl)amino]ethyl ester

Preferred Name

English

2-[[2-(3-Carboxypropyl)-1-methyl-1H-benzimidazol-5-yl](2-hydroxyethyl)amino]ethyl 5-[bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoate

Systematic Name

English

Code System Code Type Description

CAS

1391052-61-1

Created by admin on Wed Apr 02 17:31:59 GMT 2025 , Edited by admin on Wed Apr 02 17:31:59 GMT 2025

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PUBCHEM

71260312

Created by admin on Wed Apr 02 17:31:59 GMT 2025 , Edited by admin on Wed Apr 02 17:31:59 GMT 2025

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FDA UNII

D4HUU9Z8WY

Created by admin on Wed Apr 02 17:31:59 GMT 2025 , Edited by admin on Wed Apr 02 17:31:59 GMT 2025

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EPA CompTox

DTXSID001099608

Created by admin on Wed Apr 02 17:31:59 GMT 2025 , Edited by admin on Wed Apr 02 17:31:59 GMT 2025

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