((1R,2R)-2-(((3AR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)methyl)cyclohexyl)methyl 4-(benzo[d]isothiazol-3-yl)piperazine-1-carboxylate, 95%

cas: 1807983-62-5 — see every product listed under this CAS number, including other names

((1R,2R)-2-(((3AR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)methyl)cyclohexyl)methyl 4-(benzo[d]isothiazol-3-yl)piperazine-1-carboxylate, 95% (CAS 1807983-62-5) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

• 2D
• 3D

[(1R,2R)-2-[[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]methyl]cyclohexyl]methyl 4-(1,2-benzothiazol-3-yl)piperazine-1-carboxylate (CAS 1807983-62-5) is a chemical compound with the molecular formula C29H36N4O4S and a molecular weight of 536.7 g/mol. IUPAC name: [(1R,2R)-2-[[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]methyl]cyclohexyl]methyl 4-(1,2-benzothiazol-3-yl)piperazine-1-carboxylate. InChIKey: YHXSPLZCGXPWJO-GGYSQDOYSA-N.

Identity

Molecular formula	C29H36N4O4S
Molecular weight	536.7 g/mol
IUPAC name	[(1R,2R)-2-[[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]methyl]cyclohexyl]methyl 4-(1,2-benzothiazol-3-yl)piperazine-1-carboxylate
InChIKey	YHXSPLZCGXPWJO-GGYSQDOYSA-N
SMILES	C1CC[C@H]([C@@H](C1)CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)COC(=O)N5CCN(CC5)C6=NSC7=CC=CC=C76

Computed by PubChem (NCBI)

Synonyms: Lurasidone Impurity 3

Isomers (same molecular formula)

1-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]-2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfanyl]benzimidazole C₂₉H₃₆N₄O₄S

1,3-bis[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]benzimidazole-2-thione C₂₉H₃₆N₄O₄S

3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-[2-(7-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]benzamide C₂₉H₃₆N₄O₄S