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

CAS Registry Number®

62030-89-1

CAS Name

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

Molecular Formula

C28H26F4N2OS.C4H4O4

Cite this Page

Methanone, (4-fluorophenyl)[1-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-4-piperidinyl]-, (2E)-2-butenedioate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=62030-89-1 (retrieved 2024-11-22) (CAS RN: 62030-89-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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+

InChIKey

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

Canonical SMILES

O=C(O)C=CC(=O)O.O=C(C1=CC=C(F)C=C1)C2CCN(CCCN3C=4C=CC=CC4SC5=CC=C(C=C53)C(F)(F)F)CC2

Other Names for this Substance

  • 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)
  • AHR 6646
  • Duoperone fumarate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration