1H-BENZIMIDAZOLE-2-BUTANOIC ACID, 5-(BIS(2-CHLOROETHYL)AMINO)-1-METHYL-, 2-((2-(3-CARBOXYPROPYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)(2-CHLOROETHYL)AMINO)ETHYL ESTER

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H41Cl3N6O4
Molecular Weight	680.065
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1H-BENZIMIDAZOLE-2-BUTANOIC ACID, 5-(BIS(2-CHLOROETHYL)AMINO)-1-METHYL-, 2-((2-(3-CARBOXYPROPYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)(2-CHLOROETHYL)AMINO)ETHYL ESTER

Structure Search

SMILES

CN1C(CCCC(O)=O)=NC2=C1C=CC(=C2)N(CCCl)CCOC(=O)CCCC3=NC4=C(C=CC(=C4)N(CCCl)CCCl)N3C

InChI

InChIKey=RSSXIQCZWSXHBO-UHFFFAOYSA-N

InChI=1S/C32H41Cl3N6O4/c1-38-28-12-10-24(22-26(28)36-29(38)5-3-7-31(42)43)41(18-15-35)19-20-45-32(44)8-4-6-30-37-25-21-23(9-11-27(25)39(30)2)40(16-13-33)17-14-34/h9-12,21-22H,3-8,13-20H2,1-2H3,(H,42,43)

HIDE SMILES / InChI

Molecular Formula	C32H41Cl3N6O4
Molecular Weight	680.065
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 06:17:34 GMT 2025` Edited by `admin` on `Wed Apr 02 06:17:34 GMT 2025`
Record UNII	ME2DWC8BTZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENDAMUSTINE RELATED COMPOUND H [USP IMPURITY]

Preferred Name

English

1H-BENZIMIDAZOLE-2-BUTANOIC ACID, 5-(BIS(2-CHLOROETHYL)AMINO)-1-METHYL-, 2-((2-(3-CARBOXYPROPYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)(2-CHLOROETHYL)AMINO)ETHYL ESTER

Systematic Name

English

BENDAMUSTINE RELATED COMPOUND H [USP-RS]

Common Name

English

4-(5-((2-((4-(5-(BIS(2-CHLOROETHYL)AMINO)-1-METHYL-1H-BENZIMIDAZOL-2-YL)BUTANOYL)OXY)ETHYL)(2-CHLOROETHYL)AMINO)-1-METHYL-1H-BENZIMIDAZOL-2-YL)BUTANOIC ACID

Systematic Name

English

Code System Code Type Description

CAS

1228551-91-4