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

Details

Stereochemistry RACEMIC
Molecular Formula C11H13Cl2NO.ClH
Molecular Weight 282.594
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-DICHLOROETHCATHINONE HYDROCHLORIDE

SMILES

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

InChI

InChIKey=IONRSCOVNWUZIL-UHFFFAOYSA-N
InChI=1S/C11H13Cl2NO.ClH/c1-3-14-7(2)11(15)8-4-5-9(12)10(13)6-8;/h4-7,14H,3H2,1-2H3;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 C11H13Cl2NO
Molecular Weight 246.133
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 Wed Apr 02 11:39:44 GMT 2025
Edited
by admin
on Wed Apr 02 11:39:44 GMT 2025
Record UNII
JW9Z4D9J3Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DCEC HYDROCHLORIDE
Preferred Name English
3,4-DICHLOROETHCATHINONE HYDROCHLORIDE
Systematic Name English
1-(3,4-DICHLOROPHENYL)-2-(ETHYLAMINO)PROPAN-1-ONE HYDROCHLORIDE
Systematic Name English
1-PROPANONE, 1-(3,4-DICHLOROPHENYL)-2-(ETHYLAMINO)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID701342048
Created by admin on Wed Apr 02 11:39:44 GMT 2025 , Edited by admin on Wed Apr 02 11:39:44 GMT 2025
PRIMARY
PUBCHEM
156589047
Created by admin on Wed Apr 02 11:39:44 GMT 2025 , Edited by admin on Wed Apr 02 11:39:44 GMT 2025
PRIMARY
CAS
2518105-51-4
Created by admin on Wed Apr 02 11:39:44 GMT 2025 , Edited by admin on Wed Apr 02 11:39:44 GMT 2025
PRIMARY
FDA UNII
JW9Z4D9J3Z
Created by admin on Wed Apr 02 11:39:44 GMT 2025 , Edited by admin on Wed Apr 02 11:39:44 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY