ChemicalBook > CAS DataBase List > (3aR,4S,7R,7aS)-2-{(1R,2S)-2-[4-(1,2-benzisothiazol-3-yl)piperazin-1-ylMethyl]cyclohexylMethyl}hexahydro-4,7-Methano-2H-isoindole-1,3-dione hydrochloride

(3aR,4S,7R,7aS)-2-{(1R,2S)-2-[4-(1,2-benzisothiazol-3-yl)piperazin-1-ylMethyl]cyclohexylMethyl}hexahydro-4,7-Methano-2H-isoindole-1,3-dione hydrochloride

Product Name
(3aR,4S,7R,7aS)-2-{(1R,2S)-2-[4-(1,2-benzisothiazol-3-yl)piperazin-1-ylMethyl]cyclohexylMethyl}hexahydro-4,7-Methano-2H-isoindole-1,3-dione hydrochloride
CAS No.
1318074-18-8
Chemical Name
(3aR,4S,7R,7aS)-2-{(1R,2S)-2-[4-(1,2-benzisothiazol-3-yl)piperazin-1-ylMethyl]cyclohexylMethyl}hexahydro-4,7-Methano-2H-isoindole-1,3-dione hydrochloride
Synonyms
lurasidone-10;Lurasidone 2-Epimer;Lurasidone Impurity 45;Lurasidone Impurity 89;LURASIDONE ISOMER (CIS);Lurasidone 2-Epimer Hydrochloride;(3aR,4S,7R,7aS)-2-[[(1R,2S)-2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione;4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-[[(1R,2S)-2-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-, (3aR,4S,7R,7aS)-;(3aR,4S,7R,7aS)-2-{(1R,2S)-2-[4-(1,2-benzisothiazol-3-yl)piperazin-1-ylMethyl]cyclohexylMethyl}hexahydro-4,7-Methano-2H-isoindole-1,3-dione hydrochloride;(3aR,4S,7R,7aS)-2-(((1R,2S)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione hydrochloride (3aR,4S,7R,7aS)-2-(((1S,2R)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)me
CBNumber
CB62707352
Molecular Formula
C28H36N4O2S
Formula Weight
492.68
MOL File
1318074-18-8.mol
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(3aR,4S,7R,7aS)-2-{(1R,2S)-2-[4-(1,2-benzisothiazol-3-yl)piperazin-1-ylMethyl]cyclohexylMethyl}hexahydro-4,7-Methano-2H-isoindole-1,3-dione hydrochloride Property

Boiling point:
623.4±55.0 °C(Predicted)
Density 
1.273±0.06 g/cm3(Predicted)
pka
8.41±0.50(Predicted)
InChIKey
PQXKDMSYBGKCJA-FHILBSSYSA-N
SMILES
C1(=O)[C@]2([H])[C@@]([H])([C@]3([H])C[C@@]2([H])CC3)C(=O)N1C[C@@H]1CCCC[C@@H]1CN1CCN(C2C3=C(SN=2)C=CC=C3)CC1
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Hazard and Precautionary Statements (GHS)

(3aR,4S,7R,7aS)-2-{(1R,2S)-2-[4-(1,2-benzisothiazol-3-yl)piperazin-1-ylMethyl]cyclohexylMethyl}hexahydro-4,7-Methano-2H-isoindole-1,3-dione hydrochloride Preparation Products And Raw materials

Raw materials

Preparation Products

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1318074-18-8, (3aR,4S,7R,7aS)-2-{(1R,2S)-2-[4-(1,2-benzisothiazol-3-yl)piperazin-1-ylMethyl]cyclohexylMethyl}hexahydro-4,7-Methano-2H-isoindole-1,3-dione hydrochlorideRelated Search:


  • (3aR,4S,7R,7aS)-2-{(1R,2S)-2-[4-(1,2-benzisothiazol-3-yl)piperazin-1-ylMethyl]cyclohexylMethyl}hexahydro-4,7-Methano-2H-isoindole-1,3-dione hydrochloride
  • LURASIDONE ISOMER (CIS)
  • (3aR,4S,7R,7aS)-2-[[(1R,2S)-2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione
  • Lurasidone 2-Epimer
  • Lurasidone Impurity 45
  • (3aR,4S,7R,7aS)-2-(((1R,2S)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione hydrochloride (3aR,4S,7R,7aS)-2-(((1S,2R)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
  • lurasidone-10
  • (3aR,4S,7R,7aS)-2-(((1R,2S)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione hydrochloride (3aR,4S,7R,7aS)-2-(((1S,2R)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)me
  • Lurasidone 2-Epimer Hydrochloride
  • (3aR,4S,7R,7aS)-2-(((1R,2S)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoChemicalbookindole-1,3(2H)-dionehydrochloride(3aR,4S,7R,7aS)-2-(((1S,2R)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)me
  • Lurasidone Impurity 89
  • 4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-[[(1R,2S)-2-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-, (3aR,4S,7R,7aS)-
  • (3aR,4S,7R,7aS)-2-(((1R,2S)-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-(((1S,2R)-2-((4-(benzo[d]isothiazol-3-yl) piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7- methanoisoindole-1,3(2H)-dione
  • 1318074-18-8