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Details

Stereochemistry ACHIRAL
Molecular Formula C28H45Cl2N3O2
Molecular Weight 526.582
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENDAMUSTINE DODECYL ESTER

SMILES

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

InChI

InChIKey=RJNURICEBYUKHL-UHFFFAOYSA-N
InChI=1S/C28H45Cl2N3O2/c1-3-4-5-6-7-8-9-10-11-12-22-35-28(34)15-13-14-27-31-25-23-24(16-17-26(25)32(27)2)33(20-18-29)21-19-30/h16-17,23H,3-15,18-22H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C28H45Cl2N3O2
Molecular Weight 526.582
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 23:22:21 GMT 2025
Edited
by admin
on Mon Mar 31 23:22:21 GMT 2025
Record UNII
22C7JIO84O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEP-40125
Preferred Name English
BENDAMUSTINE DODECYL ESTER
Common Name English
DODECYL 4-(5-(BIS(2-CHLOROETHYL)AMINO)-1-METHYL-BENZIMIDAZOL-2-YL)BUTANOATE
Systematic Name English
1H-BENZIMIDAZOLE-2-BUTANOIC ACID, 5-(BIS(2-CHLOROETHYL)AMINO)-1-METHYL-, DODECYL ESTER
Systematic Name English
RXDX-107
Code English
Code System Code Type Description
NCI_THESAURUS
C124053
Created by admin on Mon Mar 31 23:22:21 GMT 2025 , Edited by admin on Mon Mar 31 23:22:21 GMT 2025
PRIMARY
CAS
1456608-94-8
Created by admin on Mon Mar 31 23:22:21 GMT 2025 , Edited by admin on Mon Mar 31 23:22:21 GMT 2025
PRIMARY
FDA UNII
22C7JIO84O
Created by admin on Mon Mar 31 23:22:21 GMT 2025 , Edited by admin on Mon Mar 31 23:22:21 GMT 2025
PRIMARY
PUBCHEM
73776234
Created by admin on Mon Mar 31 23:22:21 GMT 2025 , Edited by admin on Mon Mar 31 23:22:21 GMT 2025
PRIMARY