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

Details

Stereochemistry RACEMIC
Molecular Formula C13H17NO3.ClH
Molecular Weight 271.74
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-METHYLENEDIOXY-N-ISOPROPYLCATHINONE HYDROCHLORIDE

SMILES

Cl.CC(C)NC(C)C(=O)C1=CC=C2OCOC2=C1

InChI

InChIKey=HWTCYWAHKCLKCN-UHFFFAOYSA-N
InChI=1S/C13H17NO3.ClH/c1-8(2)14-9(3)13(15)10-4-5-11-12(6-10)17-7-16-11;/h4-6,8-9,14H,7H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H17NO3
Molecular Weight 235.279
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:37:04 GMT 2023
Edited
by admin
on Sat Dec 16 18:37:04 GMT 2023
Record UNII
TPK52QQE58
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-METHYLENEDIOXY-N-ISOPROPYLCATHINONE HYDROCHLORIDE
Systematic Name English
IPRONE HYDROCHLORIDE
Common Name English
1-(1,3-BENZODIOXOL-5-YL)-2-((1-METHYLETHYL)AMINO)-1-PROPANONE HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
132988770
Created by admin on Sat Dec 16 18:37:04 GMT 2023 , Edited by admin on Sat Dec 16 18:37:04 GMT 2023
PRIMARY
FDA UNII
TPK52QQE58
Created by admin on Sat Dec 16 18:37:04 GMT 2023 , Edited by admin on Sat Dec 16 18:37:04 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY