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

Details

Stereochemistry RACEMIC
Molecular Formula C12H13ClO2
Molecular Weight 224.683
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-CHLOROPHENYL)-2-HYDROXYCYCLOHEXANONE, (±)-

SMILES

OC1(CCCCC1=O)C2=CC=CC=C2Cl

InChI

InChIKey=TXHGZWYEGMFTJB-UHFFFAOYSA-N
InChI=1S/C12H13ClO2/c13-10-6-2-1-5-9(10)12(15)8-4-3-7-11(12)14/h1-2,5-6,15H,3-4,7-8H2

HIDE SMILES / InChI

Molecular Formula C12H13ClO2
Molecular Weight 224.683
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 09:59:46 UTC 2023
Edited
by admin
on Sat Dec 16 09:59:46 UTC 2023
Record UNII
7V2660692X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2-CHLOROPHENYL)-2-HYDROXYCYCLOHEXANONE, (±)-
Systematic Name English
ESKETAMINE HYDROCHLORIDE IMPURITY B [EP IMPURITY]
Common Name English
KETAMINE HYDROCHLORIDE IMPURITY B [EP IMPURITY]
Common Name English
(2RS)-2-(2-CHLOROPHENYL)-2-HYDROXYCYCLOHEXANONE
Systematic Name English
2-(2-CHLOROPHENYL)-2-HYDROXYCYCLOHEXANONE, (2RS)-
Systematic Name English
(±)-2-(2-CHLOROPHENYL)-2-HYDROXYCYCLOHEXANONE
Systematic Name English
Code System Code Type Description
PUBCHEM
129318411
Created by admin on Sat Dec 16 09:59:46 UTC 2023 , Edited by admin on Sat Dec 16 09:59:46 UTC 2023
PRIMARY
CAS
1823362-29-3
Created by admin on Sat Dec 16 09:59:46 UTC 2023 , Edited by admin on Sat Dec 16 09:59:46 UTC 2023
PRIMARY
FDA UNII
7V2660692X
Created by admin on Sat Dec 16 09:59:46 UTC 2023 , Edited by admin on Sat Dec 16 09:59:46 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP