ETHYL 5-(BIS(2-HYDROXYETHYL)AMINO)-1-METHYL-1H-BENZIMIDAZOLE-2-BUTANOATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H27N3O4
Molecular Weight	349.4247
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ETHYL 5-(BIS(2-HYDROXYETHYL)AMINO)-1-METHYL-1H-BENZIMIDAZOLE-2-BUTANOATE

Structure Search

SMILES

CCOC(=O)CCCC1=NC2=C(C=CC(=C2)N(CCO)CCO)N1C

InChI

InChIKey=SJYOJVBTSZGDQH-UHFFFAOYSA-N

InChI=1S/C18H27N3O4/c1-3-25-18(24)6-4-5-17-19-15-13-14(7-8-16(15)20(17)2)21(9-11-22)10-12-23/h7-8,13,22-23H,3-6,9-12H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C18H27N3O4
Molecular Weight	349.4247
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 `Mon Mar 31 23:41:45 GMT 2025` Edited by `admin` on `Mon Mar 31 23:41:45 GMT 2025`
Record UNII	AUL5NUY9I0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENDAMUSTINE RELATED COMPOUND C [USP IMPURITY]

Preferred Name

English

ETHYL 5-(BIS(2-HYDROXYETHYL)AMINO)-1-METHYL-1H-BENZIMIDAZOLE-2-BUTANOATE

Systematic Name

English

4-(5-(BIS(2-HYDROXYETHYL)AMINO)-1-METHYLBENZIMIDAZOL-2-YL)BUTANOIC ACID ETHYL ESTER

Systematic Name

English

1H-BENZIMIDAZOLE-2-BUTANOIC ACID, 5-(BIS(2-HYDROXYETHYL)AMINO)-1-METHYL-, ETHYL ESTER

Systematic Name

English

BENDAMUSTINE RELATED COMPOUND C [USP-RS]

Common Name

English

Code System Code Type Description

RS_ITEM_NUM

1065254

Created by admin on Mon Mar 31 23:41:45 GMT 2025 , Edited by admin on Mon Mar 31 23:41:45 GMT 2025

PRIMARY

CAS

3543-74-6

Created by admin on Mon Mar 31 23:41:45 GMT 2025 , Edited by admin on Mon Mar 31 23:41:45 GMT 2025

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FDA UNII

AUL5NUY9I0

Created by admin on Mon Mar 31 23:41:45 GMT 2025 , Edited by admin on Mon Mar 31 23:41:45 GMT 2025

PRIMARY

EPA CompTox

DTXSID00517744

Created by admin on Mon Mar 31 23:41:45 GMT 2025 , Edited by admin on Mon Mar 31 23:41:45 GMT 2025

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PUBCHEM

13086945

Created by admin on Mon Mar 31 23:41:45 GMT 2025 , Edited by admin on Mon Mar 31 23:41:45 GMT 2025

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SMS_ID

300000053377

Created by admin on Mon Mar 31 23:41:45 GMT 2025 , Edited by admin on Mon Mar 31 23:41:45 GMT 2025

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Related Record Type Details


					981Y8SX18M

BENDAMUSTINE HYDROCHLORIDE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: