U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C16H23N3O4
Molecular Weight 321.3715
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHYDROXY BENDAMUSTINE

SMILES

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

InChI

InChIKey=XQMDIDKYVZPCNV-UHFFFAOYSA-N
InChI=1S/C16H23N3O4/c1-18-14-6-5-12(19(7-9-20)8-10-21)11-13(14)17-15(18)3-2-4-16(22)23/h5-6,11,20-21H,2-4,7-10H2,1H3,(H,22,23)

HIDE SMILES / InChI

Molecular Formula C16H23N3O4
Molecular Weight 321.3715
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
64ELC90802
Record Status Validated (UNII)
Record Version