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Lurasidone

CAT: 1596-AR-L02098-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L02098-04Size:100 Units
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CAS Number
367514-87-2
Synonyms
(3aR,4S,7R,7aS) -2- (((1R,2R) -2- ((4- (benzo[d]isothiazol-3-yl) piperazin-1-yl) methyl) cyclohexyl) methyl) hexahydro-1H-4,7-methanoisoindole-1,3 (2H) -dione; (3aR,4S,7R,7aS) -2-[[ (1R,2R) -2-[[4- (1,2-Benzisothiazol-3-yl) -1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-4,7-methano-1H-isoindole-1,3 (2H) -dione; 2-[[ (1R,2R) -2-[[4- (1,2-Benzoisothiazol-3-yl) -1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro- (3aS,4R,7S,7aR) -4,7-methano-1H-isoindole-1,3 (2H) -dione
Molecular Formula
C28H36N4O2S
Molecular Weight
492.69
API Name
Lurasidone

Chemical Information

Lurasidone

Lurasidone is an N-arylpiperazine that is (3aR,4S,7R,7aS)-2-{[(1R,2R)-2-(piperazin-1-ylmethyl)cyclohexyl]methyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione in which position N4 of the piperazine ring is substituted by a 1,2-benzothiazol-3-yl group. Lurasidone is used (generally as the hydrochloride salt) as an atypical antipsychotic for the treatment of schizophrenia. It has a role as an adrenergic antagonist, a serotonergic antagonist, a dopaminergic antagonist and a second generation antipsychotic. It is a dicarboximide, a bridged compound, a N-arylpiperazine and a 1,2-benzisothiazole. It is functionally related to a maleimide. It is a conjugate base of a lurasidone(1+).

CAS Number367514-87-2
PubChem CID213046
IUPAC Name(1R,2S,6R,7S)-4-[[(1R,2R)-2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Molecular FormulaC28H36N4O2S
Molecular Weight492.7
XLogP5.4
Topological Polar Surface Area85
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity804
SMILES
C1CC[C@H]([C@@H](C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)[C@H]6[C@@H]7CC[C@@H](C7)[C@H]6C5=O
InChI
InChI=1S/C28H36N4O2S/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/t18-,19+,20-,21-,24+,25-/m0/s1
InChIKey
PQXKDMSYBGKCJA-CVTJIBDQSA-N
Chemical Structure
2D Structure
2D structure of Lurasidone
CAS: 367514-87-2
CID: 213046
Formula: C28H36N4O2S
MW: 492.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.7
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass492.25589758
Monoisotopic Mass492.25589758
Topological Polar Surface Area85 Ų
Heavy Atom Count35
Formal Charge0
Complexity804
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA4992-200Lurasidone
281302-01Lurasidone hydrochloride
MBS386184-01Lurasidone (SM13496)
RM-L181949-01Lurasidone HCl
TRC-L474915-25MGLurasidone Sulfone

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