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CHEBI:17963 - 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine

ChEBI IDCHEBI:17963
ChEBI Name1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine
Stars
DefinitionA tetrahydropyridine that is 1,2,3,6-tetrahydropyridine substituted by a methyl group at position 1 and a phenyl group at position 4.
Secondary ChEBI IDsCHEBI:639, CHEBI:11263, CHEBI:19059
Last Modified18 January 2022
DownloadsMolfile
FormulaC12H15N
Net Charge0
Average Mass173.259
Monoisotopic Mass173.12045
SMILESCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3
InChIKeyPLRACCBDVIHHLZ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
neurotoxin  A poison that interferes with the functions of the nervous system.
ChEBI Ontology
Outgoing Relation(s)
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (CHEBI:17963) has role neurotoxin (CHEBI:50910)
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (CHEBI:17963) is a methylpyridines (CHEBI:25340)
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (CHEBI:17963) is a phenylpyridine (CHEBI:38193)
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (CHEBI:17963) is a tetrahydropyridine (CHEBI:26921)
Incoming Relation(s)
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide (CHEBI:17472) has functional parent 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (CHEBI:17963)
IUPAC Name 
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine
Synonyms  Source
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridineKEGG COMPOUND
MPTPKEGG COMPOUND
Manual XrefsDatabases
C04599KEGG COMPOUND
C04599KEGG COMPOUND
MPTPWikipedia
Registry NumbersSources
Reaxys:133712Reaxys
CAS:28289-54-5KEGG COMPOUND
CAS:28289-54-5ChemIDplus
Citations