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CAS 186204-37-5

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4-(1,2-Benzothiazol-3-yl)-1-[(3aR,7aR)-octahydro-2H-isoindol-2-yl]piperazin-1-ium-1-sulfonate

Description:
4-(1,2-Benzothiazol-3-yl)-1-[(3aR,7aR)-octahydro-2H-isoindol-2-yl]piperazin-1-ium-1-sulfonate, with CAS number 186204-37-5, is a chemical compound characterized by its complex structure, which includes a piperazine moiety, a benzothiazole ring, and an isoindoline derivative. This compound typically exhibits properties such as solubility in polar solvents due to the presence of the sulfonate group, which enhances its ionic character. The benzothiazole component may contribute to its potential biological activity, as compounds containing this moiety are often associated with various pharmacological effects. The stereochemistry indicated by the (3aR,7aR) configuration suggests specific spatial arrangements that could influence the compound's interactions with biological targets. Overall, this substance may be of interest in medicinal chemistry and drug development, particularly for its potential therapeutic applications, although specific biological activities would require further investigation through empirical studies.
Formula:C19H26N4O3S2
InChI:InChI=1S/C19H26N4O3S2/c24-28(25,26)23(22-13-15-5-1-2-6-16(15)14-22)11-9-21(10-12-23)19-17-7-3-4-8-18(17)27-20-19/h3-4,7-8,15-16H,1-2,5-6,9-14H2/t15-,16-/m0/s1
SMILES:C1CC[C@H]2CN(C[C@@H]2C1)[N+]1(CCN(CC1)c1c2ccccc2sn1)S(=O)(=O)[O-]
Synonyms:
  • (3aR,7aR)-4'-(1,2-Benzisothiazol-3-yl)octahydrospiro[2H-isoindole-2,1'-piperazinium] Methanesulfonate
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