Sertraline, trans-(±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C17H17Cl2N
Molecular Weight	306.23
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=VGKDLMBJGBXTGI-YVEFUNNKSA-N

InChI=1S/C17H17Cl2N/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/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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:51:01 GMT 2025` Edited by `admin` on `Mon Mar 31 21:51:01 GMT 2025`
Record UNII	4N6S45X78A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sertraline, trans-(±)-

Common Name

English

SERTRALINE HYDROCHLORIDE IMPURITY A [EP IMPURITY]

Preferred Name

English

1-NAPHTHALENAMINE, 4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-N-METHYL-, (1R,4S)-REL-

Systematic Name

English

SERTRALINE, (1RS,4SR)-

Common Name

English

1-NAPHTHALENAMINE, 4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-N-METHYL-, TRANS-(±)-

Systematic Name

English

(1RS,4SR)-4-(3,4-DICHLOROPHENYL)-N-METHYL-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE

Systematic Name

English

Code System Code Type Description

CAS

79836-45-6

Created by admin on Mon Mar 31 21:51:01 GMT 2025 , Edited by admin on Mon Mar 31 21:51:01 GMT 2025

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PUBCHEM

9882979

Created by admin on Mon Mar 31 21:51:01 GMT 2025 , Edited by admin on Mon Mar 31 21:51:01 GMT 2025

PRIMARY

EPA CompTox

DTXSID00861017

Created by admin on Mon Mar 31 21:51:01 GMT 2025 , Edited by admin on Mon Mar 31 21:51:01 GMT 2025

PRIMARY

FDA UNII

4N6S45X78A

Created by admin on Mon Mar 31 21:51:01 GMT 2025 , Edited by admin on Mon Mar 31 21:51:01 GMT 2025

PRIMARY

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