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 C14H23NO2.ClH
Molecular Weight 273.799
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOPR hydrochloride

SMILES

Cl.CCCC1=C(OC)C=C(CC(C)N)C(OC)=C1

InChI

InChIKey=HDNDRDMJFFBLGO-UHFFFAOYSA-N
InChI=1S/C14H23NO2.ClH/c1-5-6-11-8-14(17-4)12(7-10(2)15)9-13(11)16-3;/h8-10H,5-7,15H2,1-4H3;1H

HIDE SMILES / InChI

Molecular Formula C14H23NO2
Molecular Weight 237.3379
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
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
XBS6G7KBL9
Record Status Validated (UNII)
Record Version