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CAS 773058-82-5

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Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-, (2E)-2-butenedioate (1:1)

Description:
Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-, (2E)-2-butenedioate (1:1), identified by CAS number 773058-82-5, is a complex organic compound characterized by its unique structural features. It contains a thiazepine ring, which is a seven-membered heterocyclic compound containing both sulfur and nitrogen, contributing to its pharmacological properties. The presence of a piperazine moiety suggests potential interactions with biological targets, making it of interest in medicinal chemistry. The ethoxy group indicates that it is an ether, which can influence its solubility and reactivity. The (2E)-2-butenedioate component implies that it has a conjugated system, which may enhance its stability and reactivity in various chemical environments. Overall, this compound's intricate structure suggests potential applications in pharmaceuticals, particularly in the development of therapeutic agents, although specific biological activities would require further investigation. Its synthesis and characterization would involve standard organic chemistry techniques, and safety data should be consulted for handling and usage.
Formula:C25H29N3O6S
InChI:InChI=1S/C21H25N3O2S.C4H4O4/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21;5-3(6)1-2-4(7)8/h1-8,25H,9-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChI key:InChIKey=VRHJBWUIWQOFLF-WLHGVMLRSA-N
SMILES:C(COCCO)N1CCN(C=2C=3C(SC=4C(N2)=CC=CC4)=CC=CC3)CC1.C(=C/C(O)=O)\C(O)=O
Synonyms:
  • Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-, (2E)-2-butenedioate (1:1)
  • Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-, (2E)-2-butenedioate (1:1) (salt)
  • Mono-2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl)piperazinium-1-yl]ethoxy)ethanol trans-butenedioate
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