Sertraline hydrochlorideProduct ingredient for Sertraline

Name
Sertraline hydrochloride
Drug Entry
Sertraline

Sertraline is a popular antidepressant medication commonly known as a selective serotonin reuptake inhibitor (SSRI), and is similar to drugs such as Citalopram and Fluoxetine. Despite marked structural differences between compounds in this drug class, SSRIs exert similar pharmacological effects.

Several weeks of therapy with sertraline may be required before beneficial effects are noticed. Sertraline displays enhanced safety or tolerability than other classes of antidepressants, which frequently cause high levels of drowsiness, dizziness, blurred vision, and other undesirable effects.6,10,19

Accession Number
DBSALT000808
Structure
Synonyms
(+)-cis-(1S,4S)-1-methylamino-4-(3,4-dichlorophenyl)tetralin hydrochloride / (+)-sertraline hydrochloride / (1S-cis)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride / (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-aminium chloride / Sertraline HCl
UNII
UTI8907Y6X
CAS Number
79559-97-0
Weight
Average: 342.691
Monoisotopic: 341.050482702
Chemical Formula
C17H18Cl3N
InChI Key
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
IUPAC Name
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
SMILES
Cl.[H][C@@]1(CC[C@@]([H])(C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12)NC
KEGG Drug
D00825
PubChem Compound
63009
ChemSpider
56707
ChEBI
9124
ChEMBL
CHEMBL1709
Wikipedia
Sertraline
Predicted Properties
PropertyValueSource
Water Solubility0.000145 mg/mLALOGPS
logP5.06ALOGPS
logP5.15Chemaxon
logS-6.3ALOGPS
pKa (Strongest Basic)9.56Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area12.03 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity85.74 m3·mol-1Chemaxon
Polarizability32.33 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon