Bendamustine Isopropyl Ester

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H27Cl2N3O2
Molecular Weight	400.343
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Bendamustine Isopropyl Ester

Structure Search

SMILES

CC(C)OC(=O)CCCC1=NC2=CC(=CC=C2N1C)N(CCCl)CCCl

InChI

InChIKey=TZFYAAMUDJPIML-UHFFFAOYSA-N

InChI=1S/C19H27Cl2N3O2/c1-14(2)26-19(25)6-4-5-18-22-16-13-15(7-8-17(16)23(18)3)24(11-9-20)12-10-21/h7-8,13-14H,4-6,9-12H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C19H27Cl2N3O2
Molecular Weight	400.343
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 17:21:05 GMT 2025` Edited by `admin` on `Wed Apr 02 17:21:05 GMT 2025`
Record UNII	YQJ22VX3NT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Bendamustine Isopropyl Ester

Common Name

English

Bendamustine 1-Methylethyl Ester

Preferred Name

English

Isopropyl 4-(5-(bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoate

Systematic Name

English

Bendamustine Impurity C

Common Name

English

Propan-2-yl 4-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-1,3-benzodiazol-2-yl}butanoate

Systematic Name

English

1-Methylethyl 5-[bis(2-chloroethyl)amino]-1-methyl-1H-Benzimidazole-2-butanoate

Systematic Name

English

4-{5-[Bis-(2-chloroethyl)amino]-1-methyl 1h-benzoimidazol-2-yl}-butyric acid isopropyl ester

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

YQJ22VX3NT

Created by admin on Wed Apr 02 17:21:05 GMT 2025 , Edited by admin on Wed Apr 02 17:21:05 GMT 2025

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PUBCHEM

53258886

Created by admin on Wed Apr 02 17:21:05 GMT 2025 , Edited by admin on Wed Apr 02 17:21:05 GMT 2025

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CAS

1313020-25-5

Created by admin on Wed Apr 02 17:21:05 GMT 2025 , Edited by admin on Wed Apr 02 17:21:05 GMT 2025

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