Setiptiline maleateProduct ingredient for Setiptiline
- Name
- Setiptiline maleate
- Drug Entry
- Setiptiline
Setiptiline is a tetracyclic antidepressant (TeCA) which acts as a noradrenergic and specific serotonergic antidepressant (NaSSA). In Japan, the company Mochida started its commercialization for the treatment of depression started in 1989.
- Accession Number
- DBSALT001293
- Structure
Structure for Setiptiline maleate (DBSALT001293)
- Synonyms
- Not Available
- UNII
- 9VOZ30EO2Y
- CAS Number
- 85650-57-3
- Weight
- Average: 377.44
Monoisotopic: 377.162708225 - Chemical Formula
- C23H23NO4
- InChI Key
- AVPIBVPBCWBXIU-BTJKTKAUSA-N
- InChI
- InChI=1S/C19H19N.C4H4O4/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20;5-3(6)1-2-4(7)8/h2-9H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
- IUPAC Name
- (2Z)-but-2-enedioic acid; 4-methyl-4-azatetracyclo[13.4.0.0²,⁷.0⁸,¹³]nonadeca-1(19),2(7),8,10,12,15,17-heptaene
- SMILES
- OC(=O)\C=C/C(O)=O.CN1CCC2=C(C1)C1=CC=CC=C1CC1=CC=CC=C21
- External Links
- Predicted Properties
Property Value Source Water Solubility 0.0338 mg/mL ALOGPS logP 3.96 ALOGPS logP 3.98 Chemaxon logS -3.9 ALOGPS pKa (Strongest Basic) 7.44 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 3.24 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 85.53 m3·mol-1 Chemaxon Polarizability 30.49 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon