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Details

Stereochemistry RACEMIC
Molecular Formula C16H12Cl2O
Molecular Weight 291.172
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sertraline Tetralone, (±)-

SMILES

ClC1=C(Cl)C=C(C=C1)C2CCC(=O)C3=C2C=CC=C3

InChI

InChIKey=JGMBHJNMQVKDMW-UHFFFAOYSA-N
InChI=1S/C16H12Cl2O/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11H,6,8H2

HIDE SMILES / InChI

Molecular Formula C16H12Cl2O
Molecular Weight 291.172
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 19:17:01 GMT 2025
Edited
by admin
on Wed Apr 02 19:17:01 GMT 2025
Record UNII
2WTU3ZR4ZH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sertraline Tetralone, (±)-
Systematic Name English
CP-52608
Preferred Name English
Sertraline Tetralone
Common Name English
4-(3,4-Dichlorophenyl)-1-tetralone
Common Name English
(±)-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone
Systematic Name English
1(2H)-Naphthalenone, 4-(3,4-dichlorophenyl)-3,4-dihydro-
Systematic Name English
4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone
Systematic Name English
Rac-tetralone
Common Name English
CP52608
Code English
Code System Code Type Description
FDA UNII
2WTU3ZR4ZH
Created by admin on Wed Apr 02 19:17:01 GMT 2025 , Edited by admin on Wed Apr 02 19:17:01 GMT 2025
PRIMARY
CAS
79560-19-3
Created by admin on Wed Apr 02 19:17:01 GMT 2025 , Edited by admin on Wed Apr 02 19:17:01 GMT 2025
PRIMARY
PUBCHEM
3746251
Created by admin on Wed Apr 02 19:17:01 GMT 2025 , Edited by admin on Wed Apr 02 19:17:01 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE