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Sertraline hydrochloride

CAT: 1489-S2600-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:1489-S2600-01Size:250 mg
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CAS Number
79559-97-0
Purity
0.98

Chemical Information

Sertraline Hydrochloride

Sertraline hydrochloride is a hydrochloride resulting from the reaction of equimolar amounts of sertraline and hydrogen chloride. A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder. It has a role as an antidepressant and a serotonin uptake inhibitor. It contains a sertraline(1+).

CAS Number79559-97-0
PubChem CID63009
IUPAC Name(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
Molecular FormulaC17H18Cl3N
Molecular Weight342.7
Topological Polar Surface Area12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity322
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
InChIKey
BLFQGGGGFNSJKA-XHXSRVRCSA-N
Chemical Structure
2D Structure
2D structure of Sertraline Hydrochloride
CAS: 79559-97-0
CID: 63009
Formula: C17H18Cl3N
MW: 342.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass341.050483
Monoisotopic Mass341.050483
Topological Polar Surface Area12 Ų
Heavy Atom Count21
Formal Charge0
Complexity322
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FS27822-01Sertraline hydrochloride
HY-B0176A-01Sertraline (hydrochloride)
TRC-S280002-10MGSertraline-d3 Hydrochloride
CS-EK-01335Sertraline hydrochloride 13C6
CS-SN-00074Sertraline-D4 Hydrochloride
466044-01Sertraline-d6 Hydrochloride
CS-O-31053Desmethyl Sertraline Hydrochloride
HY-B0176AR-01Sertraline (hydrochloride) (Standard)

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