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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

SMILES

CN1C(CCCC(O)=O)=NC2=CC(=CC=C12)N(CCCl)CCOC(=O)CCCC3=NC4=CC(=CC=C4N3C)N(CCCl)CCCl

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

Approval Year

Name Type Language
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
BENDAMUSTINE RELATED COMPOUND H [USP IMPURITY]
Common Name English
Code System Code Type Description
CAS
1228551-91-4
Created by admin on Sat Dec 16 15:39:48 GMT 2023 , Edited by admin on Sat Dec 16 15:39:48 GMT 2023
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RS_ITEM_NUM
1065301
Created by admin on Sat Dec 16 15:39:48 GMT 2023 , Edited by admin on Sat Dec 16 15:39:48 GMT 2023
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FDA UNII
ME2DWC8BTZ
Created by admin on Sat Dec 16 15:39:48 GMT 2023 , Edited by admin on Sat Dec 16 15:39:48 GMT 2023
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PUBCHEM
66627855
Created by admin on Sat Dec 16 15:39:48 GMT 2023 , Edited by admin on Sat Dec 16 15:39:48 GMT 2023
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