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Details

Stereochemistry ACHIRAL
Molecular Formula C18H27N3O4
Molecular Weight 349.4247
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL 5-(BIS(2-HYDROXYETHYL)AMINO)-1-METHYL-1H-BENZIMIDAZOLE-2-BUTANOATE

SMILES

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

InChI

InChIKey=SJYOJVBTSZGDQH-UHFFFAOYSA-N
InChI=1S/C18H27N3O4/c1-3-25-18(24)6-4-5-17-19-15-13-14(7-8-16(15)20(17)2)21(9-11-22)10-12-23/h7-8,13,22-23H,3-6,9-12H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H27N3O4
Molecular Weight 349.4247
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 11:12:43 UTC 2023
Edited
by admin
on Sat Dec 16 11:12:43 UTC 2023
Record UNII
AUL5NUY9I0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL 5-(BIS(2-HYDROXYETHYL)AMINO)-1-METHYL-1H-BENZIMIDAZOLE-2-BUTANOATE
Systematic Name English
BENDAMUSTINE RELATED COMPOUND C [USP IMPURITY]
Common Name English
4-(5-(BIS(2-HYDROXYETHYL)AMINO)-1-METHYLBENZIMIDAZOL-2-YL)BUTANOIC ACID ETHYL ESTER
Systematic Name English
1H-BENZIMIDAZOLE-2-BUTANOIC ACID, 5-(BIS(2-HYDROXYETHYL)AMINO)-1-METHYL-, ETHYL ESTER
Systematic Name English
BENDAMUSTINE RELATED COMPOUND C [USP-RS]
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1065254
Created by admin on Sat Dec 16 11:12:43 UTC 2023 , Edited by admin on Sat Dec 16 11:12:43 UTC 2023
PRIMARY
CAS
3543-74-6
Created by admin on Sat Dec 16 11:12:43 UTC 2023 , Edited by admin on Sat Dec 16 11:12:43 UTC 2023
PRIMARY
FDA UNII
AUL5NUY9I0
Created by admin on Sat Dec 16 11:12:43 UTC 2023 , Edited by admin on Sat Dec 16 11:12:43 UTC 2023
PRIMARY
EPA CompTox
DTXSID00517744
Created by admin on Sat Dec 16 11:12:43 UTC 2023 , Edited by admin on Sat Dec 16 11:12:43 UTC 2023
PRIMARY
PUBCHEM
13086945
Created by admin on Sat Dec 16 11:12:43 UTC 2023 , Edited by admin on Sat Dec 16 11:12:43 UTC 2023
PRIMARY
Related Record Type Details
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CHROMATOGRAPHIC PURITY (HPLC/UV)
USP