Vabicaserin HydrochlorideProduct ingredient for Vabicaserin
- Name
- Vabicaserin Hydrochloride
- Drug Entry
- Vabicaserin
Vabicaserin has been used in trials studying the health services research and treatment of Schizophrenia.
- Accession Number
- DBSALT002131
- Structure
Structure for Vabicaserin Hydrochloride (DBSALT002131)
- Synonyms
- Not Available
- UNII
- 2759C7222C
- CAS Number
- 887258-94-8
- Weight
- Average: 264.8
Monoisotopic: 264.1393264 - Chemical Formula
- C15H21ClN2
- InChI Key
- PYPPENBDXAWXJC-QNTKWALQSA-N
- InChI
- InChI=1S/C15H20N2.ClH/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17;/h1,3,6,12-13,16H,2,4-5,7-10H2;1H/t12-,13-;/m0./s1
- IUPAC Name
- (12R,16S)-7,10-diazatetracyclo[8.6.1.0^{5,17}.0^{12,16}]heptadeca-1,3,5(17)-triene hydrochloride
- SMILES
- Cl.C1C[C@H]2CN3CCNCC4=C3C(=CC=C4)[C@H]2C1
- External Links
- ChemSpider
- 9696608
- ChEMBL
- CHEMBL2104991
- Predicted Properties
Property Value Source Water Solubility 0.252 mg/mL ALOGPS logP 2.8 ALOGPS logP 2.59 Chemaxon logS -3 ALOGPS pKa (Strongest Basic) 8.9 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 15.27 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 71.5 m3·mol-1 Chemaxon Polarizability 26.72 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