Sertraline Hydrochloride, trans-(±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C17H17Cl2N.ClH
Molecular Weight	342.691
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Sertraline Hydrochloride, trans-(±)-

Structure Search

SMILES

Cl.CN[C@@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C3=CC=CC=C13

InChI

InChIKey=BLFQGGGGFNSJKA-LWHGMNCYSA-N

InChI=1S/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;/h2-6,8,10,12,17,20H,7,9H2,1H3;1H/t12-,17+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C17H17Cl2N
Molecular Weight	306.23
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

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 `Wed Apr 02 20:10:56 GMT 2025` Edited by `admin` on `Wed Apr 02 20:10:56 GMT 2025`
Record UNII	5CWA69J4E3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

rac-trans-Sertraline Hydrochloride

Preferred Name

English

Sertraline Hydrochloride, trans-(±)-

Common Name

English

1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, hydrochloride, trans-(±)-

Systematic Name

English

rel-(1R,4S)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine hydrochloride

Systematic Name

English

1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, hydrochloride (1:1), (1R,4S)-rel-

Systematic Name

English

Code System Code Type Description

FDA UNII

5CWA69J4E3

Created by admin on Wed Apr 02 20:10:56 GMT 2025 , Edited by admin on Wed Apr 02 20:10:56 GMT 2025

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PUBCHEM

18600608

Created by admin on Wed Apr 02 20:10:56 GMT 2025 , Edited by admin on Wed Apr 02 20:10:56 GMT 2025

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CAS

79617-99-5

Created by admin on Wed Apr 02 20:10:56 GMT 2025 , Edited by admin on Wed Apr 02 20:10:56 GMT 2025

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