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CAS 62030-89-1

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Methanone, (4-fluorophenyl)[1-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-4-piperidinyl]-, (2E)-2-butenedioate (1:1)

Description:
Methanone, (4-fluorophenyl)[1-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-4-piperidinyl]-, (2E)-2-butenedioate (1:1), commonly referred to by its CAS number 62030-89-1, is a complex organic compound characterized by its multi-functional structure. It features a methanone moiety linked to a piperidine ring, which is further substituted with a phenothiazine derivative that includes a trifluoromethyl group. The presence of the 4-fluorophenyl group adds to its aromatic character, while the (2E)-2-butenedioate component indicates the presence of a conjugated double bond system, contributing to its reactivity and potential biological activity. This compound is likely to exhibit significant pharmacological properties, given its structural components, which may interact with various biological targets. Its synthesis and application may be of interest in medicinal chemistry, particularly in the development of therapeutic agents. However, specific physical and chemical properties such as solubility, melting point, and stability would require empirical determination or literature reference for precise characterization.
Formula:C28H26F4N2OS·C4H4O4
InChI:InChI=1S/C28H26F4N2OS.C4H4O4/c29-22-9-6-19(7-10-22)27(35)20-12-16-33(17-13-20)14-3-15-34-23-4-1-2-5-25(23)36-26-11-8-21(18-24(26)34)28(30,31)32;5-3(6)1-2-4(7)8/h1-2,4-11,18,20H,3,12-17H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChI key:InChIKey=YETRXLVOWPGIHR-WLHGVMLRSA-N
SMILES:C(CCN1CCC(C(=O)C2=CC=C(F)C=C2)CC1)N3C=4C(SC=5C3=CC=CC5)=CC=C(C(F)(F)F)C4.C(=C/C(O)=O)\C(O)=O
Synonyms:
  • AHR 6646
  • Duoperone fumarate
  • Methanone, (4-fluorophenyl)[1-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-4-piperidinyl]-, (2E)-2-butenedioate (1:1)
  • Methanone, (4-fluorophenyl)[1-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-4-piperidinyl]-, (E)-2-butenedioate (1:1)
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