U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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=C(C=CC(=C2)N(CCCl)CCCl)N1C

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 Sat Dec 16 10:38:23 GMT 2023
Edited
by admin
on Sat Dec 16 10:38:23 GMT 2023
Record UNII
22C7JIO84O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
CEP-40125
Code English
RXDX-107
Code English
Code System Code Type Description
NCI_THESAURUS
C124053
Created by admin on Sat Dec 16 10:38:23 GMT 2023 , Edited by admin on Sat Dec 16 10:38:23 GMT 2023
PRIMARY
CAS
1456608-94-8
Created by admin on Sat Dec 16 10:38:23 GMT 2023 , Edited by admin on Sat Dec 16 10:38:23 GMT 2023
PRIMARY
FDA UNII
22C7JIO84O
Created by admin on Sat Dec 16 10:38:23 GMT 2023 , Edited by admin on Sat Dec 16 10:38:23 GMT 2023
PRIMARY
PUBCHEM
73776234
Created by admin on Sat Dec 16 10:38:23 GMT 2023 , Edited by admin on Sat Dec 16 10:38:23 GMT 2023
PRIMARY