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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H13ClO2
Molecular Weight 224.683
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2-CHLOROPHENYL) (1-HYDROXYCYCLOPENTYL) KETONE

SMILES

OC1(CCCC1)C(=O)C2=C(Cl)C=CC=C2

InChI

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

HIDE SMILES / InChI

Molecular Formula C12H13ClO2
Molecular Weight 224.683
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 Fri Dec 15 18:45:12 UTC 2023
Edited
by admin
on Fri Dec 15 18:45:12 UTC 2023
Record UNII
7428H4566N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2-CHLOROPHENYL) (1-HYDROXYCYCLOPENTYL) KETONE
Systematic Name English
O-CHLOROPHENYL 1-HYDROXYCYCLOPENTYL KETONE
Common Name English
KETAMINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]
Common Name English
1-HYDROXYCYCLOPENTYL 2-CHLOROPHENYL KETONE
Systematic Name English
ESKETAMINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]
Common Name English
METHANONE, (2-CHLOROPHENYL)(1-HYDROXYCYCLOPENTYL)-
Systematic Name English
(2-CHLOROPHENYL)(1-HYDROXYCYCLOPENTYL)METHANONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80238243
Created by admin on Fri Dec 15 18:45:12 UTC 2023 , Edited by admin on Fri Dec 15 18:45:12 UTC 2023
PRIMARY
PUBCHEM
827018
Created by admin on Fri Dec 15 18:45:12 UTC 2023 , Edited by admin on Fri Dec 15 18:45:12 UTC 2023
PRIMARY
ECHA (EC/EINECS)
292-676-0
Created by admin on Fri Dec 15 18:45:12 UTC 2023 , Edited by admin on Fri Dec 15 18:45:12 UTC 2023
PRIMARY
FDA UNII
7428H4566N
Created by admin on Fri Dec 15 18:45:12 UTC 2023 , Edited by admin on Fri Dec 15 18:45:12 UTC 2023
PRIMARY
CAS
90717-17-2
Created by admin on Fri Dec 15 18:45:12 UTC 2023 , Edited by admin on Fri Dec 15 18:45:12 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY