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CAS 101389-34-8

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2H,7H-[1,4]Dioxepino[2,3-g]-1,2,4-benzothiadiazin-3(4H)-one, 8,9-dihydro-2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-, 1,1-dioxide

Description:
The chemical substance known as "2H,7H-[1,4]Dioxepino[2,3-g]-1,2,4-benzothiadiazin-3(4H)-one, 8,9-dihydro-2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-, 1,1-dioxide," with CAS number 101389-34-8, is a complex organic compound characterized by its unique structural features, including a dioxepine ring and a benzothiadiazinone moiety. This compound exhibits a range of functional groups, including a piperazine derivative and a methoxyphenyl substituent, which may contribute to its pharmacological properties. The presence of the dioxepine and benzothiadiazinone structures suggests potential applications in medicinal chemistry, particularly in the development of therapeutic agents. Its molecular structure indicates that it may interact with biological targets, possibly influencing neurotransmitter systems or other cellular pathways. Additionally, the compound's 1,1-dioxide functionality may enhance its stability and solubility in various solvents. Overall, this substance represents a class of compounds that could be of interest for further research in drug discovery and development.
Formula:C23H28N4O6S
InChI:InChI=1S/C23H28N4O6S/c1-31-19-6-3-2-5-18(19)26-10-7-25(8-11-26)9-12-27-23(28)24-17-15-20-21(33-14-4-13-32-20)16-22(17)34(27,29)30/h2-3,5-6,15-16H,4,7-14H2,1H3,(H,24,28)
InChI key:InChIKey=XKOFWTSBRWQMHU-UHFFFAOYSA-N
SMILES:O=S1(=O)C=2C(=CC3=C(C2)OCCCO3)NC(=O)N1CCN4CCN(CC4)C5=C(OC)C=CC=C5
Synonyms:
  • 2H,7H-[1,4]Dioxepino[2,3-g]-1,2,4-benzothiadiazin-3(4H)-one, 8,9-dihydro-2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-, 1,1-dioxide
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