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CAS 1316754-64-9

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Pyrrolo[1,2-b][1,2]thiazepine-8-carboxylic acid, octahydro-, 1,1-dioxide, (5aS,8S)-

Description:
Pyrrolo[1,2-b][1,2]thiazepine-8-carboxylic acid, octahydro-, 1,1-dioxide, (5aS,8S)- is a heterocyclic compound characterized by a fused ring system that includes both pyrrole and thiazepine moieties. This compound features a carboxylic acid functional group, which contributes to its acidity and potential reactivity. The octahydro designation indicates that the compound is fully saturated, implying that it has no double bonds in its structure, which can influence its physical properties such as solubility and boiling point. The presence of the 1,1-dioxide suggests that there are two oxygen atoms incorporated into the structure, likely contributing to its stability and reactivity. The specific stereochemistry denoted by (5aS,8S) indicates the spatial arrangement of atoms around the chiral centers, which can significantly affect the compound's biological activity and interactions. Overall, this compound may have potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its unique structural features and functional groups.
Formula:C9H15NO4S
InChI:InChI=1S/C9H15NO4S/c11-9(12)8-5-4-7-3-1-2-6-15(13,14)10(7)8/h7-8H,1-6H2,(H,11,12)/t7-,8-/m0/s1
InChI key:InChIKey=QMGGDDYSPVNMOC-YUMQZZPRSA-N
SMILES:C(O)(=O)[C@H]1N2[C@](CC1)(CCCCS2(=O)=O)[H]
Synonyms:
  • Pyrrolo[1,2-b][1,2]thiazepine-8-carboxylic acid, octahydro-, 1,1-dioxide, (5aS,8S)-
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