Demexiptiline hydrochlorideProduct ingredient for Demexiptiline
- Name
- Demexiptiline hydrochloride
- Drug Entry
- Demexiptiline
Demexiptiline is marketed under the names Deparon or Tinoran. It is a tricyclic antidepressant which acts primarily as a norepinephrine reuptake inhibitor.
- Accession Number
- DBSALT001823
- Structure
Structure for Demexiptiline hydrochloride (DBSALT001823)
- Synonyms
- Demexiptiline HCl
- UNII
- ULT22161QA
- CAS Number
- 18059-99-9
- Weight
- Average: 314.81
Monoisotopic: 314.1185909 - Chemical Formula
- C18H19ClN2O
- InChI Key
- MZTHMUGFMPRTIK-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H18N2O.ClH/c1-19-12-13-21-20-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18;/h2-11,19H,12-13H2,1H3;1H
- IUPAC Name
- methyl({2-[({tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ylidene}amino)oxy]ethyl})amine hydrochloride
- SMILES
- Cl.CNCCON=C1C2=CC=CC=C2C=CC2=CC=CC=C12
- External Links
- ChemSpider
- 26857
- Predicted Properties
Property Value Source Water Solubility 0.00281 mg/mL ALOGPS logP 3.21 ALOGPS logP 3.82 Chemaxon logS -5 ALOGPS pKa (Strongest Basic) 9.09 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 33.62 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 87.06 m3·mol-1 Chemaxon Polarizability 32.45 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 No Chemaxon