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

Details

Stereochemistry RACEMIC
Molecular Formula C14H19NO.ClH
Molecular Weight 253.768
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2'-OXO-PCE HYDROCHLORIDE

SMILES

Cl.CCNC1(CCCCC1=O)C2=CC=CC=C2

InChI

InChIKey=JWRSSLUSBSLMIT-UHFFFAOYSA-N
InChI=1S/C14H19NO.ClH/c1-2-15-14(11-7-6-10-13(14)16)12-8-4-3-5-9-12;/h3-5,8-9,15H,2,6-7,10-11H2,1H3;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 C14H19NO
Molecular Weight 217.3068
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 14:16:52 GMT 2023
Edited
by admin
on Sat Dec 16 14:16:52 GMT 2023
Record UNII
6Q4N3KH3MG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2'-OXO-PCE HYDROCHLORIDE
Common Name English
O-PCE HYDROCHLORIDE
Common Name English
CYCLOHEXANONE, 2-(ETHYLAMINO)-2-PHENYL-, HYDROCHLORIDE (1:1)
Systematic Name English
N-ETHYLDESCHLOROKETAMINE HYDROCHLORIDE
Common Name English
CYCLOHEXANONE, 2-(ETHYLAMINO)-2-PHENYL-, HYDROCHLORIDE
Systematic Name English
ETICYCLIDONE HYDROCHLORIDE
Common Name English
DESCHLORO-N-ETHYL-KETAMINE HYDROCHLORIDE
Common Name English
Code System Code Type Description
PUBCHEM
132989541
Created by admin on Sat Dec 16 14:16:52 GMT 2023 , Edited by admin on Sat Dec 16 14:16:52 GMT 2023
PRIMARY
FDA UNII
6Q4N3KH3MG
Created by admin on Sat Dec 16 14:16:52 GMT 2023 , Edited by admin on Sat Dec 16 14:16:52 GMT 2023
PRIMARY
CAS
4551-92-2
Created by admin on Sat Dec 16 14:16:52 GMT 2023 , Edited by admin on Sat Dec 16 14:16:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID701337097
Created by admin on Sat Dec 16 14:16:52 GMT 2023 , Edited by admin on Sat Dec 16 14:16:52 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY