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
Show more names
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
- Formal charge
- 0
- Complexity
- 688
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
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
No reaction records under the current filter.
Compound notes
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