Account (3aR,7aR)-4'-(Benzo[d]isothiazol-3-yl)octahydrospiro[isoindole-2,1'-piperazin]-2-ium methanesulfonate
- Catalog No. :
- ACXJCN703
- CAS No. :
- 186204-37-5
- Molecular Formula :
- C20H29N3O3S2
- Molecular Weight :
- 423.60
IUPAC Name:(3aR,7aR)-4'-(benzo[d]isothiazol-3-yl)octahydrospiro[isoindole-2,1'-piperazin]-2-ium methanesulfonate
![(3aR,7aR)-4'-(Benzo[d]isothiazol-3-yl)octahydrospiro[isoindole-2,1'-piperazin]-2-ium methanesulfonate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3aR,7aR)-4'-(Benzo[d]isothiazol-3-yl)octahydrospiro[isoindole-2,1'-piperazin]-2-ium methanesulfonate |
|---|---|
| IUPAC Name | (3aR,7aR)-4'-(benzo[d]isothiazol-3-yl)octahydrospiro[isoindole-2,1'-piperazin]-2-ium methanesulfonate |
| Molecular Formula | C20H29N3O3S2 |
| Molecular Weight | 423.60 |
| SMILES | CS(=O)([O-])=O.[H][C@@]1(CCCC2)[C@]2([H])C[N+]3(CCN(C4=NSC5=CC=CC=C45)CC3)C1 |
| InChI Key | DCZWVXNDLGWVAS-MOGJOVFKSA-M |
| Synonym | 4-(Benzo[d]isothiazol-3-yl)-1-((3aR,7aR)-hexahydro-1H-isoindol-2(3H)-yl)piperazin-1-iuM-1-sulfonate;(3aR,7aR), octahydro-[2H-isoindole-2-spiro-1'-piperazinium], 4'-(1,2-benzisothiazol-3-yl), methanesulfonate (1:1);Lurasidone Impurity 34;(3aR,7aR)-4'-(benzo[d]isothiazol-3-yl);-ium methanesulfonate;lurasidone-8;Lurasidone impurity 17/(3aR,7aR)-4-(1,2-Benzisothiazol-3-yl)octahydrospiro[2H-isoindole-2,1-piperaziniuM] Methanesulfonate;4-(1,2-Benzothiazol-3-yl)-1-[(3aR,7aR)-octahydro-2H-isoindol-2-yl]piperazin-1-ium-1-sulfonate |
| CAS No. | 186204-37-5 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACXJCN703 Molecular Building Block Synthetic Route
(3aR,7aR)-4'-(benzo[d]isothiazol-3-yl)octahydrospiro[isoindole-2,1'-piperazin]-2-ium
((1R,2R)-2-((4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methanamine
3-(4-cyclobutylpiperazin-1-yl)benzo[d]isothiazole