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

HCID 5282422

Basic information

CAS
54533-86-7
Standard SMILES
CCN(CC)Cc1nccn1-c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl.O=C(O)/C=C/C(=O)O
InChIKey
JDQAUUIBFFFOOV-WLHGVMLRSA-N
Molecular formula
C25H25ClN4O7
Average molar mass
528.9 g/mol
Monoisotopic mass
528.14117682

Overview

Nizofenone fumarate is a member of benzophenones.

Names & identifiers

Preferred name
Methanone, (2-chlorophenyl)(2-(2-((diethylamino)methyl)-1H-imidazol-1-yl)-5-nitrophenyl)-, (2E)-2-butenedioate (1:1)
IUPAC
(E)-but-2-enedioic acid;(2-chlorophenyl)-[2-[2-(diethylaminomethyl)imidazol-1-yl]-5-nitrophenyl]methanone
English name
Nizofenone
Molecular formula
C25H25ClN4O7
Molecular weight
528.9416

Names & synonyms

nizofenone fumarate54533-86-7EkonalDTXSID50486371I1Z517Z3YNSC-3158561-(2-(2-Chlorobenzoyl)-4-nitrophenyl)-2-(diethylaminomethyl)imidazole fumarateDTXCID601471513METHANONE, (2-CHLOROPHENYL)(2-(2-((DIETHYLAMINO)METHYL)-1H-IMIDAZOL-1-YL)-5-NITROPHENYL)-, (2E)-2-BUTENEDIOATE (1:1)RefChem:166179MidafenoneNizofenone fumarate [JAN]
Show more names
(2-chlorophenyl)(2-{2-[(diethylamino)methyl]-1H-imidazol-1-yl}-5-nitrophenyl)methanone, maleate salt(2-Chlorophenyl)[2-[2-[(diethylamino)methyl]-1H-imidazol-1-yl]-5-nitrophenyl]methanone (E)-2-butenedioate
Y-9179Nizofenone (fumarate)(E)-but-2-enedioic acid;(2-chlorophenyl)-[2-[2-(diethylaminomethyl)imidazol-1-yl]-5-nitrophenyl]methanoneNizofenone fumarate (JAN)93929-95-4(2-chlorophenyl)(2-(2-((diethylamino)methyl)-1H-imidazol-1-yl)-5-nitrophenyl)methanone fumarateCAS-54533-86-7NSC315856

Database identifiers

CAS
54533-86-7、93929-95-4
PubChem CID
5282422
DTXSID
DTXSID5048637
ChEBI
CHEBI:31914
UNII
1I1Z517Z3Y

Properties

Computed structural properties

Topological polar surface area
159 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
37

Physicochemical properties

Melting point
157 · 157-158℃
storage temp.
2 · 2-8°C
FDA UNII
1 I1Z517Z3Y · 1I1Z517Z3Y
Toxicity
50 in · LD50 in male, female mice, male, female rats (mg/kg): 495, 504, 1711, 1580 orally; 62, 70, 63, 65 i.v.; 270, 278, 1830, 1629 s.c. (Horizoe)

Safety & regulation

Safety data

Toxicity
LD50 in male, female mice, male, female rats (mg/kg): 495, 504, 1711, 1580 orally; 62, 70, 63, 65 i.v.; 270, 278, 1830, 1629 s.c. (Horizoe)

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.

Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.

Additional notes

DefinitionChEBI: Nizofenone fumarate is a member of benzophenones.

Related reactions

0 records

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Compound notes

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