Asenapine maleateProduct ingredient for Asenapine
- Name
- Asenapine maleate
- Drug Entry
- Asenapine
Developed by Schering-Plough after its merger with Organon International, asenapine is a sublingually administered, atypical antipsychotic for treatment of schizophrenia and acute mania associated with bipolar disorder. Asenapine also belongs to the dibenzo-oxepino pyrrole class. It is also for severe post-traumatic stress disorder nightmares in soldiers as an off-label use. FDA approved on August 13, 2009.
- Accession Number
- DBSALT000010
- Structure
Structure for Asenapine maleate (DBSALT000010)
- Synonyms
- Asenapine maleate
- External IDs
- ORG 5222
- UNII
- CU9463U2E2
- CAS Number
- 85650-56-2
- Weight
- Average: 401.84
Monoisotopic: 401.103000462 - Chemical Formula
- C21H20ClNO5
- InChI Key
- GMDCDXMAFMEDAG-BTJKTKAUSA-N
- InChI
- InChI=1S/C17H16ClNO.C4H4O4/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19;5-3(6)1-2-4(7)8/h2-8,14-15H,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
- IUPAC Name
- (2Z)-but-2-enedioic acid; 9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.0^{2,6}.0^{7,12}]octadeca-1(14),7,9,11,15,17-hexaene
- SMILES
- OC(=O)\C=C/C(O)=O.CN1CC2C(C1)C1=C(OC3=CC=C(Cl)C=C23)C=CC=C1
- External Links
- PubChem Compound
- 6917875
- ChemSpider
- 10128588
- ChEBI
- 71248
- ChEMBL
- CHEMBL3544974
- Wikipedia
- Asenapine
- Predicted Properties
Property Value Source Water Solubility 0.0312 mg/mL ALOGPS logP 4.35 ALOGPS logP 3.72 Chemaxon logS -4 ALOGPS pKa (Strongest Basic) 7.29 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 12.47 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 81.65 m3·mol-1 Chemaxon Polarizability 30.83 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