N-Desmethylbendamustine hydrochloride

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H19Cl2N3O2.ClH
Molecular Weight	380.697
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-Desmethylbendamustine hydrochloride

Structure Search

SMILES

Cl.OC(=O)CCCC1=NC2=CC=C(C=C2N1)N(CCCl)CCCl

InChI

InChIKey=MIQLSSMJKCGLSP-UHFFFAOYSA-N

InChI=1S/C15H19Cl2N3O2.ClH/c16-6-8-20(9-7-17)11-4-5-12-13(10-11)19-14(18-12)2-1-3-15(21)22;/h4-5,10H,1-3,6-9H2,(H,18,19)(H,21,22);1H

HIDE SMILES / InChI

Molecular Formula	C15H19Cl2N3O2
Molecular Weight	344.236
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	ClH
Molecular Weight	36.461
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 `Sat Dec 16 20:22:24 UTC 2023` Edited by `admin` on `Sat Dec 16 20:22:24 UTC 2023`
Record UNII	J29ZZ2GD8V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-Desmethylbendamustine hydrochloride

Common Name

English

4-(6-(bis(2-chloroethyl)amino)-1H-benzo[d]imidazol-2-yl)butanoic acid hydrochloride

Systematic Name

English

Bendamustine N-Desmethyl Impurity

Common Name

English

6-[Bis(2-chloroethyl)amino]-1H-Benzimidazole-2-butanoic acid hydrochloride

Systematic Name

English

2-Benzimidazolebutyric acid, 5-[bis(2-chloroethyl)amino]-, monohydrochloride

Systematic Name

English

1H-Benzimidazole-2-butanoic acid, 5-[bis(2-chloroethyl)amino]-, hydrochloride

Systematic Name

English

1H-Benzimidazole-2-butanoic acid, 6-[bis(2-chloroethyl)amino]-, hydrochloride

Systematic Name

English

Desmethyl bendamustine hydrochloride

Common Name

English

Code System Code Type Description

FDA UNII

J29ZZ2GD8V

Created by admin on Sat Dec 16 20:22:24 UTC 2023 , Edited by admin on Sat Dec 16 20:22:24 UTC 2023

PRIMARY

PUBCHEM

129627280

Created by admin on Sat Dec 16 20:22:24 UTC 2023 , Edited by admin on Sat Dec 16 20:22:24 UTC 2023

PRIMARY

CAS

31349-38-9

Created by admin on Sat Dec 16 20:22:24 UTC 2023 , Edited by admin on Sat Dec 16 20:22:24 UTC 2023

PRIMARY

Related Record Type Details


					542SRM4E31

N-DESMETHYLBENDAMUSTINE

PARENT -> SALT/SOLVATE

Amount: