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(1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione hydrochloride (1:1)(CAS: 367514-88-3)

(1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione hydrochloride (1:1)
CAS Number

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Basic Information

Molecular Formula
C28H37ClN4O2S
Molecular Weight
529.15 g/mol

Physical Properties

Melting Point
198-205°C
Flash Point
9℃(48.2℉)(lit.)

Chemical Identifiers

SMILES
O=C(N1C[C@H]2[C@H](CN3CCN(C4=NSC5=CC=CC=C45)CC3)CCCC2)[C@@]6([H])[C@](C7)([H])CC[C@]7([H])[C@@]6([H])C1=O.[H]Cl
InChIKey
NEKCRUIRPWNMLK-SCIYSFAVSA-N

Database References

MDL Number
MFCD00908886

FAQ

This compound, with CAS number 367514-88-3, is a complex organic molecule containing a benzothiazole ring, piperazine moiety, and a cyclohexyl group. It is a hydrochloride salt (1:1 ratio) of a 4-azatricyclo structure, exhibiting specific stereochemistry (1R,2S,6R,7S) and functional groups such as ketones and amine derivatives. Its molecular formula is C25H30N4O4S2·HCl, and it is characterized by its stability in controlled environments.
This compound is primarily used in pharmaceutical research for its potential therapeutic applications, including analgesic and anti-inflammatory properties. It may also find use in medicinal chemistry as a lead compound for drug development. Its unique structure makes it relevant for studies involving molecular interactions and receptor targeting, though specific industrial or commercial applications are not widely documented.
Safety data for this compound is limited, but as a chemical substance, it requires careful handling to minimize exposure. Protective measures such as gloves, goggles, and a fume hood are recommended during use. While it is not classified as highly toxic, adherence to standard chemical safety protocols and proper storage are essential. Always consult safety data sheets (SDS) for detailed guidelines on its handling and potential hazards.
This compound should be stored in a cool, dry place, away from light, in a sealed container to prevent moisture absorption. Maintain storage conditions at 2-8°C to ensure stability. Avoid exposure to incompatible substances and keep it in a well-ventilated area. Proper storage is critical to maintaining its chemical integrity and effectiveness for research or pharmaceutical purposes.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

Contact Person

Li Ruomeng

Email

1610258721@qq.com