U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C13H19NO.ClH
Molecular Weight 241.757
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOHEXEDRONE HYDROCHLORIDE

SMILES

Cl.CNC(CC(C)C)C(=O)C1=CC=CC=C1

InChI

InChIKey=GNQUXJDIJXCMEO-UHFFFAOYSA-N
InChI=1S/C13H19NO.ClH/c1-10(2)9-12(14-3)13(15)11-7-5-4-6-8-11;/h4-8,10,12,14H,9H2,1-3H3;1H

HIDE SMILES / InChI

Approval Year

Name Type Language
.ALPHA.-METHYLAMINOISOHEXANOPHENONE HYDROCHLORIDE
Preferred Name English
ISOHEXEDRONE HYDROCHLORIDE
Systematic Name English
4-METHYL-2-(METHYLAMINO)-1-PHENYLPENTAN-1-ONE HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
63ZR7UN7C6
Created by admin on Wed Apr 02 11:01:14 GMT 2025 , Edited by admin on Wed Apr 02 11:01:14 GMT 2025
PRIMARY
PUBCHEM
165362307
Created by admin on Wed Apr 02 11:01:14 GMT 2025 , Edited by admin on Wed Apr 02 11:01:14 GMT 2025
PRIMARY