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]
PubChem Compound
11237860
ChemSpider
9412905
ChEBI
70732
ChEMBL
CHEMBL1615372
Wikipedia
Lurasidone
Predicted Properties
PropertyValueSource
Water Solubility0.00789 mg/mLALOGPS
logP5.25ALOGPS
logP4.56Chemaxon
logS-4.8ALOGPS
pKa (Strongest Basic)8.5Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area56.75 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity139.33 m3·mol-1Chemaxon
Polarizability54.52 Å3Chemaxon
Number of Rings7Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon