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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H12Cl2O
Molecular Weight 291.172
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SERTRALINE KETONE

SMILES

ClC1=C(Cl)C=C(C=C1)[C@@H]2CCC(=O)C3=C2C=CC=C3

InChI

InChIKey=JGMBHJNMQVKDMW-NSHDSACASA-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/t11-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SERTRALINE KETONE
Common Name English
(S)-4-(3,4-DICHLOROPHENYL)-3,4-DIHYDRO-1-NAPHTHALENONE
Systematic Name English
SERTRALINE, KETONE
Common Name English
(S)-4-(3,4-DICHLOROPHENYL)-1-TETRALONE
Systematic Name English
1(2H)-NAPHTHALENONE, 4-(3,4-DICHLOROPHENYL)-3,4-DIHYDRO-, (4S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40924791
Created by admin on Sat Dec 16 06:43:41 GMT 2023 , Edited by admin on Sat Dec 16 06:43:41 GMT 2023
PRIMARY
CAS
124379-29-9
Created by admin on Sat Dec 16 06:43:41 GMT 2023 , Edited by admin on Sat Dec 16 06:43:41 GMT 2023
PRIMARY
PUBCHEM
1474501
Created by admin on Sat Dec 16 06:43:41 GMT 2023 , Edited by admin on Sat Dec 16 06:43:41 GMT 2023
PRIMARY
FDA UNII
3383LZ11NQ
Created by admin on Sat Dec 16 06:43:41 GMT 2023 , Edited by admin on Sat Dec 16 06:43:41 GMT 2023
PRIMARY