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Details

Stereochemistry ACHIRAL
Molecular Formula C16H22ClN3O3
Molecular Weight 339.817
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(5-((2-CHLOROETHYL)(2-HYDROXYETHYL)AMINO)-1-METHYL-1H-BENZIMIDAZOL-2-YL)BUTANOIC ACID

SMILES

CN1C(CCCC(O)=O)=NC2=C1C=CC(=C2)N(CCO)CCCl

InChI

InChIKey=PFTRYOMJJKBZKV-UHFFFAOYSA-N
InChI=1S/C16H22ClN3O3/c1-19-14-6-5-12(20(8-7-17)9-10-21)11-13(14)18-15(19)3-2-4-16(22)23/h5-6,11,21H,2-4,7-10H2,1H3,(H,22,23)

HIDE SMILES / InChI
Molecular Formula C16H22ClN3O3
Molecular Weight 339.817
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:50:56 GMT 2025
Edited
by admin
on Mon Mar 31 22:50:56 GMT 2025
Record UNII
EP861GFN77
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(5-((2-CHLOROETHYL)(2-HYDROXYETHYL)AMINO)-1-METHYL-1H-BENZIMIDAZOL-2-YL)BUTANOIC ACID
Systematic Name English
BENDAMUSTINE RELATED COMPOUND E [USP IMPURITY]
Preferred Name English
HP1
Common Name English
1H-BENZIMIDAZOLE-2-BUTANOIC ACID, 5-((2-CHLOROETHYL)(2-HYDROXYETHYL)AMINO)-1-METHYL-
Systematic Name English
5-((2-CHLOROETHYL)(2-HYDROXYETHYL)AMINO)-1-METHYL-1H-BENZIMIDAZOLE-2-BUTANOIC ACID
Systematic Name English
BENDAMUSTINE RELATED COMPOUND E [USP-RS]
Common Name English
DES(2-CHLOROETHYL)-(2-HYDROXYETHYL) BENDAMUSTINE
Systematic Name English
HYDROXY BENDAMUSTINE
Common Name English
Code System Code Type Description
PUBCHEM
23238076
Created by admin on Mon Mar 31 22:50:56 GMT 2025 , Edited by admin on Mon Mar 31 22:50:56 GMT 2025
PRIMARY
RS_ITEM_NUM
1065276
Created by admin on Mon Mar 31 22:50:56 GMT 2025 , Edited by admin on Mon Mar 31 22:50:56 GMT 2025
PRIMARY
FDA UNII
EP861GFN77
Created by admin on Mon Mar 31 22:50:56 GMT 2025 , Edited by admin on Mon Mar 31 22:50:56 GMT 2025
PRIMARY
CAS
109882-27-1
Created by admin on Mon Mar 31 22:50:56 GMT 2025 , Edited by admin on Mon Mar 31 22:50:56 GMT 2025
PRIMARY
Related Record Type Details
Structure of BENDAMUSTINE HYDROCHLORIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
NIH
NCATS
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