Lurasidone hydrochlorideProduct ingredient for Lurasidone
- Name
- Lurasidone hydrochloride
- Drug Entry
- Lurasidone
Lurasidone is an atypical antipsychotic developed by Dainippon Sumitomo Pharma. It was approved by the U.S. Food and Drug Administration (FDA) for treatment of schizophrenia on October 29, 2010 and is currently pending approval for the treatment of bipolar disorder in the United States.
- Accession Number
- DBSALT000113
- Structure
- Synonyms
- Not Available
- UNII
- O0P4I5851I
- CAS Number
- 367514-88-3
- Weight
- Average: 529.137
Monoisotopic: 528.232574845 - Chemical Formula
- C28H37ClN4O2S
- InChI Key
- NEKCRUIRPWNMLK-SCIYSFAVSA-N
- InChI
- InChI=1S/C28H36N4O2S.ClH/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26;/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2;1H/t18-,19+,20-,21-,24+,25-;/m0./s1
- IUPAC Name
- (1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0^{2,6}]decane-3,5-dione hydrochloride
- SMILES
- Cl.[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(C[C@]3([H])CCCC[C@@]3([H])CN3CCN(CC3)C3=NSC4=CC=CC=C34)C(=O)[C@]21[H]
- External Links
- PubChem Compound
- 11237860
- ChemSpider
- 9412905
- ChEBI
- 70732
- ChEMBL
- CHEMBL1615372
- Wikipedia
- Lurasidone
- Predicted Properties
Property Value Source Water Solubility 0.00789 mg/mL ALOGPS logP 5.25 ALOGPS logP 4.56 Chemaxon logS -4.8 ALOGPS pKa (Strongest Basic) 8.5 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 56.75 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 139.33 m3·mol-1 Chemaxon Polarizability 54.52 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon