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Details

Stereochemistry RACEMIC
Molecular Formula C12H17NO.ClH
Molecular Weight 227.73
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPENTEDRONE HYDROCHLORIDE

SMILES

Cl.CCCC(=O)C(NC)C1=CC=CC=C1

InChI

InChIKey=GRVMWEMTEXKSKY-UHFFFAOYSA-N
InChI=1S/C12H17NO.ClH/c1-3-7-11(14)12(13-2)10-8-5-4-6-9-10;/h4-6,8-9,12-13H,3,7H2,1-2H3;1H

HIDE SMILES / InChI

Approval Year

Unknown
149124
PubMed

PubMed

TitleDatePubMed
Mass, NMR and IR spectroscopic characterization of pentedrone and pentylone and identification of their isocathinone by-products.
2012-04-10
Name Type Language
1-(METHYLAMINO)-1-PHENYLPENTAN-2-ONE,MONOHYDROCHLORIDE
Preferred Name English
ISOPENTEDRONE HYDROCHLORIDE
Common Name English
1-METHYLAMINO-1-PHENYLPENTAN-2-ONE HYDROCHLORIDE
Systematic Name English
2-PENTANONE, 1-(METHYLAMINO)-1-PHENYL-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
CAS
1429402-13-0
Created by admin on Wed Apr 02 13:15:04 GMT 2025 , Edited by admin on Wed Apr 02 13:15:04 GMT 2025
PRIMARY
PUBCHEM
131848013
Created by admin on Wed Apr 02 13:15:04 GMT 2025 , Edited by admin on Wed Apr 02 13:15:04 GMT 2025
PRIMARY
FDA UNII
WLB4U5W9CC
Created by admin on Wed Apr 02 13:15:04 GMT 2025 , Edited by admin on Wed Apr 02 13:15:04 GMT 2025
PRIMARY
PARENT (SALT/SOLVATE)
Structure of ISOPENTEDRONE
NIH
NCATS
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