chempirical

Sertraline hydrochloride

C17H18Cl3NCAS 79559-97-0342.69 g/mol

Open in Covalent MOL file
HNClClHCl
Aryl halideSecondary amine

Properties

Molecular formula
C17H18Cl3N
Molar mass
342.69 g/mol
Exact mass
341.0505 Da
Melting point
243–245 °C
logP
5.60Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
79559-97-0
SMILES
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl
InChIKey
BLFQGGGGFNSJKA-XHXSRVRCSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

23 names · show all
  • 1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, hydrochloride (1:1), (1S,4S)-
  • 1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, hydrochloride, (1S-cis)-
  • 1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, hydrochloride, (1S,4S)-
  • Zoloft
  • Atruline
  • Altruline
  • Lesefer
  • Lustral
  • Sosser
  • Zolof
  • Dominum
  • Gladem
  • Cp 51974-1
  • (1S,4S)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthaleneamine hydrochloride
  • (1S,4S)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine hydrochloride
  • Aremis
  • Selectra
  • (1S,4S)-N-Methyl-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine hydrochloride
  • Stimuloton
  • Seserine
  • Serlift
  • Sirto
  • Jzoloft

Work with Sertraline hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sertraline79617-96-292 % similar N-[4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenylidene]methanamine79560-20-646 % similar 4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone79560-19-345 % similar N-[2-(2-Chlorophenyl)-2-hydroxyethyl]propan-2-aminium chloride6933-90-036 % similar 3,4-Dichlorophenylhydrazine hydrochloride19763-90-736 % similar 2-(2-Chlorophenyl)pyrrolidine129540-21-235 % similar Tulobuterol hydrochloride56776-01-335 % similar Maprotiline hydrochloride10347-81-632 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Rel-(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine hydrochloride (1:1)79617-99-5

Elsewhere

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