# Sertraline Hydrochloride, trans-(A+-)-

CAS: 79620-28-3
PubChem CID: 18600608
InChIKey: BLFQGGGGFNSJKA-LWHGMNCYSA-N
Wikidata: Q81977729
Molecular formula: C17H18Cl3N
Molar mass: 342.7 g/mol
IUPAC: (1R,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILES: CN[C@@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl
InChI: 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
PSA: 12 A^2
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 21
3D structure: 39 atoms, 40 bonds

## About the compound

Sertraline Hydrochloride, trans-(A+-)- is a chemical compound registered under CAS number 79620-28-3. Molecular formula: C17H18Cl3N. Molar mass: 342.7 g/mol. The full systematic IUPAC name is: (1R,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride. The molecule contains 39 atoms connected by 40 chemical bonds. 
Chemical data comes from the PubChem (NIH), ChEMBL (EBI) and NIST WebBook databases. GHS statement translations comply with the CLP Regulation (EC 1272/2008). Interactive 3D model and 2D skeleton available at: https://molgod.org/molecule/79620-28-3/


## Synonyms

  - 5CWA69J4E3
  - RefChem:1098481
  - Sertraline Hydrochloride, trans-(A+-)-
  - Amberlite IRC 718
  - RAC-TRANS-SERTRALINE HYDROCHLORIDE
  - 79620-28-3
  - 79896-32-5
  - (1R,4S)-4-(3,4-DICHLOROPHENYL)-N-METHYL-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE HYDROCHLORIDE
  - (1R,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
  - AMBERLITE(R) IRC-748
  - (1RS,4SR)-4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine Hydrochloride
  - Sertraline Impurity 14

## Data sources

  - PubChem CID 18600608: https://pubchem.ncbi.nlm.nih.gov/compound/18600608
  - Wikidata: https://www.wikidata.org/wiki/Q81977729
  - NIST WebBook: https://webbook.nist.gov/cgi/cbook.cgi?ID=79620-28-3
  - ChEMBL: https://www.ebi.ac.uk/chembl/g/#search_results/all/query=79620-28-3

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