(3aR,4R,7S,7aS)-2-((cis-2-((4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Catalog No. :: ACOLBA795
CAS No. :: 1318074-20-2
Molecular Formula :: C28H36N4O2S
Molecular Weight :: 492.69

IUPAC Name:(3aR,4R,7S,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,4R,7S,7aS)-2-((cis-2-((4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione structure diagram

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Product Information

Product Name	(3aR,4R,7S,7aS)-2-((cis-2-((4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
IUPAC Name	(3aR,4R,7S,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
Molecular Formula	C28H36N4O2S
Molecular Weight	492.69
SMILES	O=C1N(C[C@H]2[C@@H](CN3CCN(C4=NSC5=CC=CC=C45)CC3)CCCC2)C([C@]6([H])[C@](C7)([H])CC[C@]7([H])[C@]16[H])=O
InChI Key	PQXKDMSYBGKCJA-CCMPBZAMSA-N
Synonym	cis-endo-lurasidone HCl;(3aR,4R,7S,7aS)-rel-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;(3aR,4R,7S,7aS)-2-((cis-2-((4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione;(3aR,4R,7S,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-ENDO);endo-cis-Lurasidone;(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;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,4R,7S,7aS)-rel-
CAS No.	1318074-20-2

Safety Data

Pictogram
Signal Word: Achtung
Hazard Statement(s): H302-H315-H319-H335
Precautionary Statement(s): P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501

Synthetic Route by SureRoute

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(3aR,4R,7S,7aS)-2-((cis-2-((4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

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Safety Data

Synthetic Route by SureRoute

1. ACOLBA795 Molecular Building Block Synthetic Route

2. ACOLBA795 Molecular Building Block Synthetic Route

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(3aR,4R,7S,7aS)-2-((cis-2-((4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Product Information

Safety Data

Synthetic Route by SureRoute

(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,4R,7S,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-((cis-2-((4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Lurasidonhydrochloride

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