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 RACEMIC
Molecular Formula C15H13NO3.BrH
Molecular Weight 336.181
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DINOXYLINE HYDROBROMIDE

SMILES

Br.OC1=CC=C2C3CNCC4=CC=CC(OC2=C1O)=C34

InChI

InChIKey=PMTRMSGKNVIHTO-UHFFFAOYSA-N
InChI=1S/C15H13NO3.BrH/c17-11-5-4-9-10-7-16-6-8-2-1-3-12(13(8)10)19-15(9)14(11)18;/h1-5,10,16-18H,6-7H2;1H

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
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

Molecular Formula C15H13NO3
Molecular Weight 255.2686
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
87886C4TY8
Record Status Validated (UNII)
Record Version