SERTRALINE KETONE

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 Search

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

Molecular Formula	C16H12Cl2O
Molecular Weight	291.172
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 06:43:40 UTC 2023` Edited by `admin` on `Sat Dec 16 06:43:40 UTC 2023`
Record UNII	3383LZ11NQ
Record Status	`Validated (UNII)`
Record Version

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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 UTC 2023 , Edited by admin on Sat Dec 16 06:43:41 UTC 2023

PRIMARY

CAS

124379-29-9

Created by admin on Sat Dec 16 06:43:41 UTC 2023 , Edited by admin on Sat Dec 16 06:43:41 UTC 2023

PRIMARY

PUBCHEM

1474501

Created by admin on Sat Dec 16 06:43:41 UTC 2023 , Edited by admin on Sat Dec 16 06:43:41 UTC 2023

PRIMARY

FDA UNII

3383LZ11NQ

Created by admin on Sat Dec 16 06:43:41 UTC 2023 , Edited by admin on Sat Dec 16 06:43:41 UTC 2023

PRIMARY

Related Record Type Details


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SERTRALINE

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