Sertraline

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Systematic / IUPAC Name: 4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydro-1-naphthalenamine

ID: Reference917

Other Names: (1S,4S)-4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;
(1S-cis)-1,2,3,4-Tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-1-naphthalenamine;
1-Naphthalenamine, 1,2,3,4-tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-, (1S-cis-)-;
Zoloft;
(+)-Sertraline ; more

Formula: C17H17Cl2N

Class: Therapeutics/Prescription Drugs

Spectral Data

Sertraline mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 169
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/30/2015 12:09:14 PM
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Identificators

InChI 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
InChI Key VGKDLMBJGBXTGI-SJCJKPOMSA-N
Canonical SMILES CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl
CAS 79617962
Splash
Other Names (1S,4S)-4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;
(1S-cis)-1,2,3,4-Tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-1-naphthalenamine;
1-Naphthalenamine, 1,2,3,4-tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-, (1S-cis-)-;
Zoloft;
(+)-Sertraline;
cis-(+)-Sertraline;
(1S,4S)-Sertraline

In Other Databases

ChemIDPlus 079617962
ChemSpider 61881
ChEBI CHEBI:9123
ChEMBL CHEMBL809
Wikipedia Sertraline
PubChem 68617
KEGG C07246; D02360
DrugBank APRD00175
HMDb HMDB05010