Home/Compounds/Pharmaceutical Intermediate/(3aR,7aR)-4'-(1,2-Benzisothiazol-3-yl)octahydrospiro[2H-isoindole-2,1'-piperazinium] methanesulfonate
C20H29N3O3S2
423.6 g/mol
Pharmaceutical IntermediateWarning
(3aR,7aR)-4'-(Benzo[d]isothiazol-3-yl)octahydrospiro[isoindole-2,1'-piperazin]-2-ium methanesulfonate
CAS186204-37-5EC695-841-9
Category
Pharmaceutical Intermediate
Compound Class
Amine
Primary Use
Pharmaceutical Intermediate
This compound is a spirocyclic benzothiazole derivative in the form of a methanesulfonate salt, used as a pharmaceutical intermediate in the synthesis of active pharmaceutical ingredients. It features a complex polycyclic structure with a bicyclic octahydroisoindole ring system and a piperazine-like moiety, contributing to its role in medicinal chemistry.
Pharmaceutical intermediate for API synthesisResearch compound for spirocyclic benzothiazole chemistry
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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Safety Reference
Warning
H302Harmful if swallowed
H312Harmful in contact with skin
H332Harmful if inhaled
H336May cause drowsiness or dizziness
H351Suspected of causing cancer
Identifiers
IUPAC Name
3-[(3aR,7aR)-spiro[1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium-2,4'-1,4-diazinan-4-ium]-1'-yl]-1,2-benzothiazole;methanesulfonate
InChIKey
DCZWVXNDLGWVAS-MOGJOVFKSA-M
SMILES
CS(=O)(=O)[O-].C1CC[C@H]2C[N+]3(CCN(CC3)C4=NSC5=CC=CC=C54)C[C@@H]2C1
Synonyms (10)
- Lurasidone Impurity 23
- Lurasidone Impurity 54
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