Basic information
- CAS
48134-75-4- Standard SMILES
C[n+]1ccc(-c2ccccc2)cc1- InChIKey
FMGYKKMPNATWHP-UHFFFAOYSA-N- Molecular formula
- C12H12N+
- Average molar mass
- 170.23 g/mol
- Monoisotopic mass
- 170.09697439
Overview
N-methyl-4-phenylpyridinium is a pyridinium ion that is N-methylpyridinium having a phenyl substituent at the 4-position. It has a role as a herbicide, a neurotoxin, an apoptosis inducer and a human xenobiotic metabolite.
Names & identifiers
- Preferred name
- 1-Methyl-4-phenylpyridinium
- IUPAC
- 1-methyl-4-phenylpyridin-1-ium
- English name
- 1-methyl-4-phenyl-pyridine
- Molecular formula
- C12H12N+
- Molecular weight
- 170.23
Names & synonyms
Cyperquat1-METHYL-4-PHENYLPYRIDINIUMN-Methyl-4-phenylpyridine48134-75-4N-Methyl-4-phenylpyridinium ionN-Methyl-4-phenylpyridiniumPyridinium, 1-methyl-4-phenyl-R865A5OY8J1-Methyl-4-phenylpyridinium Ion1 Methyl 4 phenylpyridine1 Methyl 4 PhenylpyridiniumCHEBI:641
Show more names
1-methyl-4-phenyl-pyridine1-Methyl-4-phenylpyridinium chloride1-methyl-4-phenylpyridin-1-ium chloride
DTXSID4058106RefChem:76329N Methyl 4 phenylpyridineDTXCID70318741 Methyl 4 phenylpyridinium Ion1 Methyl 4 phenylpyridinium Chloride1-Methyl-4-phenylpyridineMPP+
Database identifiers
- CAS
48134-75-4- PubChem CID
- 39484
- DTXSID
DTXSID4058106- ChEMBL
CHEMBL311617- ChEBI
CHEBI:641- UNII
- R865A5OY8J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 1
- Complexity
- 141
Physicochemical properties
- FDA UNII
- 865 A5OY8J · R865A5OY8J
- EPA Substance Registry System
- Cyperquat (48134-75-4)
- Toxicity
- The proximal toxicant formed when MPTP (1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine) is metabolized by monoamine oxidase B. Unlike MPTP, this compound will not pass the blood-brain barrier, but it is a substrate for the dopamine neurotransporter, and thus is able to enter dopamine neurons. It is believed to destroy dopamine neurons by mechanisms involving both free radical production and inhibition of mitochondrial electron transport.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- The proximal toxicant formed when MPTP (1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine) is metabolized by monoamine oxidase B. Unlike MPTP, this compound will not pass the blood-brain barrier, but it is a substrate for the dopamine neurotransporter, and thus is able to enter dopamine neurons. It is believed to destroy dopamine neurons by mechanisms involving both free radical production and inhibition of mitochondrial electron transport.
Chemistry & industry
Pharmacology
Metabolism/Metabolites1-methyl-4-phenylpyridin-1-ium is a known human metabolite of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine.
MeSH Pharmacological ClassificationPesticides used to destroy unwanted vegetation, especially various types of weeds, grasses (POACEAE), and woody plants. Some plants develop HERBICIDE RESISTANCE.
Applications
DescriptionCyperquat is an obsolete broad-spectrum herbicide. Very little information is available regarding its environmental fate or ecotoxicology. It is highly toxic if ingested by mammals and may damage the central nervous system.
Suppliers1 total
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
Additional notes
DefinitionChEBI: A pyridinium ion that is N-methylpyridinium having a phenyl substituent at the 4-position.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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