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
- 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
- External Links
- KEGG Drug
- D01179
- PubChem Compound
- 11966283
- ChemSpider
- 54821
- ChEBI
- 31526
- ChEMBL
- CHEMBL1200328
- Wikipedia
- Duloxetine
- Predicted Properties
Property Value Source Water Solubility 0.00296 mg/mL ALOGPS logP 4.72 ALOGPS logP 4.2 Chemaxon logS -5 ALOGPS pKa (Strongest Basic) 9.7 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 21.26 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 87.73 m3·mol-1 Chemaxon Polarizability 33.08 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon