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

Details

Stereochemistry RACEMIC
Molecular Formula C17H19NOS.ClH
Molecular Weight 321.865
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYLTHIO-N-BENZYLCATHINONE HYDROCHLORIDE

SMILES

Cl.CSC1=CC=C(C=C1)C(=O)C(C)NCC2=CC=CC=C2

InChI

InChIKey=WIKMCPFLMZZHGL-UHFFFAOYSA-N
InChI=1S/C17H19NOS.ClH/c1-13(18-12-14-6-4-3-5-7-14)17(19)15-8-10-16(20-2)11-9-15;/h3-11,13,18H,12H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula C17H19NOS
Molecular Weight 285.404
Charge 0
Count
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
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 13:37:01 GMT 2025
Edited
by admin
on Wed Apr 02 13:37:01 GMT 2025
Record UNII
E6NP8P37HK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(BENZYLAMINO)-1-(4-(METHYLTHIO)PHENYL)PROPAN-1-ONE HYDROCHLORIDE
Preferred Name English
4-METHYLTHIO-N-BENZYLCATHINONE HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
E6NP8P37HK
Created by admin on Wed Apr 02 13:37:01 GMT 2025 , Edited by admin on Wed Apr 02 13:37:01 GMT 2025
PRIMARY
PUBCHEM
165361609
Created by admin on Wed Apr 02 13:37:01 GMT 2025 , Edited by admin on Wed Apr 02 13:37:01 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY