Methanone, (2-chlorophenyl)[2-[2-[(diethylamino)methyl]-1H-imidazol-1-yl]-5-nitrophenyl]-, (2E)-2-butenedioate (1:1)
CAS Registry Number®
54533-86-7
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CAS Name
Methanone, (2-chlorophenyl)[2-[2-[(diethylamino)methyl]-1H-imidazol-1-yl]-5-nitrophenyl]-, (2E)-2-butenedioate (1:1)Molecular Formula
C21H21ClN4O3.C4H4O4Cite 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 ) (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
Deleted or Replaced CAS Registry Numbers
93929-95-4
