Aptazapine maleateProduct ingredient for Aptazapine
- Name
- Aptazapine maleate
- Drug Entry
- Aptazapine
Aptazapine (CGS-7525A) was a tetracyclic antidepressant developed in the 1980s. Aptazapine had noradrenergic and specific serotonergic activity. It antagonised α2 adrenergic receptors approximately 10 times more effectively than mianserin, antagonised 5-HT2 receptors, agonised H1 receptors, and did not affect reuptake of serotonin or norepinephrine. Although Aptazapine reached clinical trials, it was never marketed.
- Accession Number
- DBSALT001787
- Structure
Structure for Aptazapine maleate (DBSALT001787)
- Synonyms
- Not Available
- UNII
- 7X768418RT
- CAS Number
- 71576-41-5
- Weight
- Average: 369.421
Monoisotopic: 369.168856233 - Chemical Formula
- C20H23N3O4
- InChI Key
- JJTOHZLQMBVMPF-BTJKTKAUSA-N
- InChI
- InChI=1S/C16H19N3.C4H4O4/c1-17-9-10-19-14-6-3-2-5-13(14)11-18-8-4-7-15(18)16(19)12-17;5-3(6)1-2-4(7)8/h2-8,16H,9-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
- IUPAC Name
- (2Z)-but-2-enedioic acid; 17-methyl-6,14,17-triazatetracyclo[12.4.0.0²,⁶.0⁸,¹³]octadeca-2,4,8,10,12-pentaene
- SMILES
- [H]\C(=C(/[H])C(O)=O)C(O)=O.CN1CCN2C(C1)C1=CC=CN1CC1=CC=CC=C21
- External Links
- ChemSpider
- 4939960
- ChEMBL
- CHEMBL2106459
- Predicted Properties
Property Value Source Water Solubility 2.7 mg/mL ALOGPS logP 2.48 ALOGPS logP 2.69 Chemaxon logS -2 ALOGPS pKa (Strongest Basic) 6.92 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 11.41 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 78.91 m3·mol-1 Chemaxon Polarizability 28.85 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