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 C14H17N3O5
Molecular Weight 307.3019
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-((BIS(2-HYDROXYETHYL)AMINO)METHYL)-5-NITRO-8-QUINOLINOL

SMILES

OCCN(CCO)CC1=C(O)C2=C(C=CC=N2)C(=C1)[N+]([O-])=O

InChI

InChIKey=CFRLPKFPYJCLLV-UHFFFAOYSA-N
InChI=1S/C14H17N3O5/c18-6-4-16(5-7-19)9-10-8-12(17(21)22)11-2-1-3-15-13(11)14(10)20/h1-3,8,18-20H,4-7,9H2

HIDE SMILES / InChI

Molecular Formula C14H17N3O5
Molecular Weight 307.3019
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
R47P3X83BD
Record Status Validated (UNII)
Record Version