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Details

Stereochemistry ACHIRAL
Molecular Formula C16H24N3O7P
Molecular Weight 401.3514
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(5-(2-HYDROXYETHYL(2-PHOSPHONOOXYETHYL)AMINO)-1-METHYL-BENZIMIDAZOL-2-YL)BUTANOIC ACID

SMILES

CN1C(CCCC(O)=O)=NC2=C1C=CC(=C2)N(CCO)CCOP(O)(O)=O

InChI

InChIKey=PGPQRVTWUJFFNJ-UHFFFAOYSA-N
InChI=1S/C16H24N3O7P/c1-18-14-6-5-12(19(7-9-20)8-10-26-27(23,24)25)11-13(14)17-15(18)3-2-4-16(21)22/h5-6,11,20H,2-4,7-10H2,1H3,(H,21,22)(H2,23,24,25)

HIDE SMILES / InChI

Molecular Formula C16H24N3O7P
Molecular Weight 401.3514
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 15:21:51 UTC 2023
Edited
by admin
on Sat Dec 16 15:21:51 UTC 2023
Record UNII
US45AE7E37
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(5-(2-HYDROXYETHYL(2-PHOSPHONOOXYETHYL)AMINO)-1-METHYL-BENZIMIDAZOL-2-YL)BUTANOIC ACID
Systematic Name English
BENDAMUSTINE METABOLITE MET5
Common Name English
Code System Code Type Description
PUBCHEM
155804802
Created by admin on Sat Dec 16 15:21:51 UTC 2023 , Edited by admin on Sat Dec 16 15:21:51 UTC 2023
PRIMARY PUBCHEM
FDA UNII
US45AE7E37
Created by admin on Sat Dec 16 15:21:51 UTC 2023 , Edited by admin on Sat Dec 16 15:21:51 UTC 2023
PRIMARY
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