rac-cis-3-Dechloro Sertraline Hydrochloride

Details

Stereochemistry	RACEMIC
Molecular Formula	C17H18ClN.ClH
Molecular Weight	308.245
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of rac-cis-3-Dechloro Sertraline Hydrochloride

Structure Search

SMILES

Cl.CN[C@H]1CC[C@@H](C2=CC=C(Cl)C=C2)C3=C1C=CC=C3

InChI

InChIKey=QTILPEMKUQBCMU-RVXRQPKJSA-N

InChI=1S/C17H18ClN.ClH/c1-19-17-11-10-14(12-6-8-13(18)9-7-12)15-4-2-3-5-16(15)17;/h2-9,14,17,19H,10-11H2,1H3;1H/t14-,17-;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula	C17H18ClN
Molecular Weight	271.785
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:54:49 GMT 2025` Edited by `admin` on `Wed Apr 02 19:54:49 GMT 2025`
Record UNII	TF8PHC2ADN
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-Dechloro Sertraline Hydrochloride

Preferred Name

English

rac-cis-3-Dechloro Sertraline Hydrochloride

Common Name

English

1-Naphthalenamine, 4-(4-chlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, hydrochloride, cis-(±)-

Systematic Name

English

rac-cis-3-Deschlorosertraline Hydrochloride

Common Name

English

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

Systematic Name

English

rel-(1S,4S)-4-(4-Chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride

Systematic Name

English

(1RS,4RS)-4-(4-Chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride

Systematic Name

English

Code System Code Type Description

FDA UNII

TF8PHC2ADN

Created by admin on Wed Apr 02 19:54:49 GMT 2025 , Edited by admin on Wed Apr 02 19:54:49 GMT 2025

PRIMARY

PUBCHEM

13408710

Created by admin on Wed Apr 02 19:54:49 GMT 2025 , Edited by admin on Wed Apr 02 19:54:49 GMT 2025

PRIMARY

CAS

79559-98-1

Created by admin on Wed Apr 02 19:54:49 GMT 2025 , Edited by admin on Wed Apr 02 19:54:49 GMT 2025

PRIMARY

Related Record Type Details


					EI70WPF3PV

3-Deschlorosertraline, cis-(±)-

PARENT -> SALT/SOLVATE

Amount: