Methanone, (2-chlorophenyl)[2-[2-[(diethylamino)methyl]-1H-imidazol-1-yl]-5-nitrophenyl]-, (2E)-2-butenedioate (1:1)

CAS Registry Number®

54533-86-7

CAS Name

Methanone, (2-chlorophenyl)[2-[2-[(diethylamino)methyl]-1H-imidazol-1-yl]-5-nitrophenyl]-, (2E)-2-butenedioate (1:1)

Molecular Formula

C21H21ClN4O3.C4H4O4

Cite this Page

Methanone, (2-chlorophenyl)[2-[2-[(diethylamino)methyl]-1H-imidazol-1-yl]-5-nitrophenyl]-, (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=54533-86-7 (retrieved 2024-11-22) (CAS RN: 54533-86-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    157-158 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C21H21ClN4O3.C4H4O4/c1-3-24(4-2)14-20-23-11-12-25(20)19-10-9-15(26(28)29)13-17(19)21(27)16-7-5-6-8-18(16)22;5-3(6)1-2-4(7)8/h5-13H,3-4,14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

InChIKey=JDQAUUIBFFFOOV-WLHGVMLRSA-N

SMILES

C(=O)(C1=C(C=CC(N(=O)=O)=C1)N2C(CN(CC)CC)=NC=C2)C3=C(Cl)C=CC=C3.C(=C/C(O)=O)\C(O)=O

Canonical SMILES

O=C(O)C=CC(=O)O.O=C(C=1C=CC=CC1Cl)C2=CC(=CC=C2N3C=CN=C3CN(CC)CC)N(=O)=O

Other Names for this Substance

  • Methanone, (2-chlorophenyl)[2-[2-[(diethylamino)methyl]-1H-imidazol-1-yl]-5-nitrophenyl]-, (2E)-2-butenedioate (1:1)
  • Methanone, (2-chlorophenyl)[2-[2-[(diethylamino)methyl]-1H-imidazol-1-yl]-5-nitrophenyl]-, (E)-2-butenedioate (1:1)
  • Y 9179
  • Midafenone
  • Nizofenone fumarate

View All

Deleted or Replaced CAS Registry Numbers

93929-95-4

CAS INSIGHTSTM
Targeted protein degrader structure, illustration