CHEMICAL AND PHYSICAL PROPERTIES
Flash Point | 9.7 °C (49.5 °F) - closed cup |
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Stability/Shelf Life | Stable under recommended storage conditions. |
Other Experimental Properties | White to off-white powder; MP 215-217 °C; sparingly soluble in methanol; slightly soluble in ethanol; very slightly soluble in acetone, water; practically insoluble in 0.1 N HCl, toluene /Lurasidone hydrochloride/ |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 492.7 g/mol |
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XLogP3 | 5.4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 5 |
Exact Mass | 492.25589758 g/mol |
Monoisotopic Mass | 492.25589758 g/mol |
Topological Polar Surface Area | 85 Ų |
Heavy Atom Count | 35 |
Formal Charge | 0 |
Complexity | 804 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 6 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
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 dopaminergic antagonist, a serotonergic antagonist and a second generation antipsychotic. It is a 1,2-benzisothiazole, a N-arylpiperazine, a bridged compound and a dicarboximide. It is functionally related to a maleimide. It is a conjugate base of a lurasidone(1+).