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

Details

Stereochemistry RACEMIC
Molecular Formula C9H10FNO.ClH
Molecular Weight 203.641
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-FLUOROISOCATHINONE HYDROCHLORIDE

SMILES

Cl.CC(=O)C(N)C1=CC=C(F)C=C1

InChI

InChIKey=LEHXQTGOCZVEKK-UHFFFAOYSA-N
InChI=1S/C9H10FNO.ClH/c1-6(12)9(11)7-2-4-8(10)5-3-7;/h2-5,9H,11H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C9H10FNO
Molecular Weight 167.1802
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 Sat Dec 16 10:21:01 GMT 2023
Edited
by admin
on Sat Dec 16 10:21:01 GMT 2023
Record UNII
288F64I863
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-FLUOROISOCATHINONE HYDROCHLORIDE
Common Name English
4-FLUOROISOCATHINONE (HYDROCHLORIDE)
Common Name English
1-AMINO-1-(4-FLUOROPHENYL)PROPAN-2-ONE, MONOHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
67059517
Created by admin on Sat Dec 16 10:21:01 GMT 2023 , Edited by admin on Sat Dec 16 10:21:01 GMT 2023
PRIMARY
FDA UNII
288F64I863
Created by admin on Sat Dec 16 10:21:01 GMT 2023 , Edited by admin on Sat Dec 16 10:21:01 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY