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Details

Stereochemistry ACHIRAL
Molecular Formula C18H25Cl2N3O2
Molecular Weight 386.316
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-, ETHYL ESTER

SMILES

CCOC(=O)CCCC1=NC2=CC(=CC=C2N1C)N(CCCl)CCCl

InChI

InChIKey=GVLZDNWNOBSNEN-UHFFFAOYSA-N
InChI=1S/C18H25Cl2N3O2/c1-3-25-18(24)6-4-5-17-21-15-13-14(7-8-16(15)22(17)2)23(11-9-19)12-10-20/h7-8,13H,3-6,9-12H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H25Cl2N3O2
Molecular Weight 386.316
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 11:21:48 GMT 2023
Edited
by admin
on Sat Dec 16 11:21:48 GMT 2023
Record UNII
4ZJ84CTZ79
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-BENZIMIDAZOLE-2-BUTANOIC ACID, 5-(BIS(2-CHLOROETHYL)AMINO)-1-METHYL-, ETHYL ESTER
Systematic Name English
BENDAMUSTINE RELATED COMPOUND I [USP-RS]
Common Name English
ETHYL 5-(BIS(2-CHLOROETHYL)AMINO)-1-METHYL-1H-BENZIMIDAZOLE-2-BUTANOATE
Systematic Name English
ETHYL 4-(5-(BIS(2-CHLOROETHYL)AMINO)-1-METHYL-1H-BENZIMIDAZOL-2-YL)BUTANOATE
Systematic Name English
BENDAMUSTINE RELATED COMPOUND I [USP IMPURITY]
Common Name English
BENDAMUSTINE ETHYL ESTER
Common Name English
Code System Code Type Description
FDA UNII
4ZJ84CTZ79
Created by admin on Sat Dec 16 11:21:48 GMT 2023 , Edited by admin on Sat Dec 16 11:21:48 GMT 2023
PRIMARY
CAS
87475-54-5
Created by admin on Sat Dec 16 11:21:48 GMT 2023 , Edited by admin on Sat Dec 16 11:21:48 GMT 2023
PRIMARY
PUBCHEM
23238075
Created by admin on Sat Dec 16 11:21:48 GMT 2023 , Edited by admin on Sat Dec 16 11:21:48 GMT 2023
PRIMARY
RS_ITEM_NUM
1065312
Created by admin on Sat Dec 16 11:21:48 GMT 2023 , Edited by admin on Sat Dec 16 11:21:48 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP