Duloxetine hydrochlorideProduct ingredient for Duloxetine

Name
Duloxetine hydrochloride
Drug Entry
Duloxetine

Duloxetine is a dual serotonin and norepinephrine reuptake inhibitor.Label It was originally discovered in 1993 and developed by Eli Lilly and Company as LY248686.15 Duloxetine first received approval from the FDA in August, 2004 as Cymbalta for the treatment of Major Depressive Disorder.20 It has since received approval for a variety of indications including the treatment of neuropathic pain, Generalized Anxiety disorder, osteoarthritis, and stress incontinence. Duloxetine continues to be investigated for the treatment of pain in cancer, surgery, and more.

Accession Number
DBSALT000378
Structure
Thumb
Synonyms
(3S)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine hydrochloride / Duloxetine HCl
UNII
9044SC542W
CAS Number
136434-34-9
Weight
Average: 333.87
Monoisotopic: 333.0954131
Chemical Formula
C18H20ClNOS
InChI Key
BFFSMCNJSOPUAY-LMOVPXPDSA-N
InChI
InChI=1S/C18H19NOS.ClH/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16;/h2-10,13,17,19H,11-12H2,1H3;1H/t17-;/m0./s1
IUPAC Name
methyl[(3S)-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propyl]amine hydrochloride
SMILES
Cl.CNCC[C@H](OC1=CC=CC2=CC=CC=C12)C1=CC=CS1
KEGG Drug
D01179
PubChem Compound
11966283
ChemSpider
54821
ChEBI
31526
ChEMBL
CHEMBL1200328
Wikipedia
Duloxetine
Predicted Properties
PropertyValueSource
Water Solubility0.00296 mg/mLALOGPS
logP4.72ALOGPS
logP4.2ChemAxon
logS-5ALOGPS
pKa (Strongest Basic)9.7ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area21.26 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity87.73 m3·mol-1ChemAxon
Polarizability33.08 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon