ChemicalBook--->CAS DataBase List--->1260138-03-1

1260138-03-1

1260138-03-1 Structure

1260138-03-1 Structure
IdentificationBack Directory
[Name]

Lurasidon hydrochloride iMpurity
[CAS]

1260138-03-1
[Synonyms]

lurasidone-22
Lurasidone IMP
Lurasidone Impurity
Lurasidone Impurity I
Lurasidon hydrochloride iMpurity
((1R,2R)-2-((4-(benzo[d]isothiazol-3-yl)
[(1R,2R)-2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methanamine
((1R,2S)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methanamine
((1R,2R)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methanamine
N-[1R,2R-(2-Methylamino)cyclohex-1-yl)methyl]-N’-(1,2-benzisothiazol-3-yl)piperazine
Cyclohexanemethanamine, 2-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]methyl]-, (1R,2R)-
Lurasidone impurity 6/((1R,2R)-2-((4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methanamine
[Molecular Formula]

C19H28N4S
[MDL Number]

MFCD34596848
[MOL File]

1260138-03-1.mol
[Molecular Weight]

344.52
Chemical PropertiesBack Directory
[Boiling point ]

452.2±45.0 °C(Predicted)
[density ]

1.170±0.06 g/cm3(Predicted)
[solubility ]

soluble in Chloroform, Ethanol
[form ]

Oil
[pka]

10.27±0.29(Predicted)
[color ]

Yellow
[InChI]

InChI=1S/C19H28N4S/c20-13-15-5-1-2-6-16(15)14-22-9-11-23(12-10-22)19-17-7-3-4-8-18(17)24-21-19/h3-4,7-8,15-16H,1-2,5-6,9-14,20H2/t15-,16-/m0/s1
[InChIKey]

ISNHCWHFMIPSEZ-HOTGVXAUSA-N
[SMILES]

[C@@H]1(CN)CCCC[C@H]1CN1CCN(C2C3=C(SN=2)C=CC=C3)CC1
Hazard InformationBack Directory
[Uses]

N-[1R,2R-(2-Methylamino)cyclohex-1-yl)methyl]-NтАЩ-(1,2-benzisothiazol-3-yl)piperazine is an intermediate in synthesizing Lurasidone Opened Imide (L474935), an impurity in the synthesis of Lurasidone (L474920) which is antipsychotic used for treatment of schizophrenia.
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