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Substance Name: 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
RN: 28289-54-5
UNII: 9P21XSP91P
InChIKey: PLRACCBDVIHHLZ-UHFFFAOYSA-N

Note

  • A dopaminergic neurotoxic compound which produces irreversible clinical, chemical, and pathological alterations that mimic those found in Parkinson disease.

Molecular Formula

  • C12-H15-N

Molecular Weight

  • 173.258
 

Classification Codes

  • Dopamine Agents
  • Neurotoxins
  • Neurotransmitter Agents
  • Noxae
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine

MeSH Heading

  • 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine

Synonyms

  • 1,2,3,6-Tetrahydro-1-methyl-4-phenylpyridine
  • 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
  • 5-20-07-00121 (Beilstein Handbook Reference)
  • BRN 0133712
  • CCRIS 2186
  • EINECS 248-939-7
  • HSDB 6942
  • MPTP
  • N-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
  • NSC 139654
  • UNII-9P21XSP91P

Systematic Names

  • 1,2,3,6-Tetrahydro-1-methyl-4-phenylpyridine
  • 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
  • Pyridine, 1,2,3,6-tetrahydro-1-methyl-4-phenyl-

Registry Numbers

CAS Registry Number

  • 28289-54-5

FDA UNII

  • 9P21XSP91P

System Generated Number

  • 0028289545

Structure Descriptors

InChI

1S/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3

InChIKey

PLRACCBDVIHHLZ-UHFFFAOYSA-N

Smiles

C=1(c2ccccc2)CC[N@@](C)CC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 86mg/kg (86mg/kg)   "MPTP: A Neurotoxin Producing a Parkinsonian Syndrome, Papers Presented at a Symposium, Bethesda, MD, 1985," Markey, S.P., et al., eds., Orlando, FL, Academic Press, Inc., 1986Vol. -, Pg. 571, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 40 deg C   EXP
log P (octanol-water) 2.71 (none)   EXP
Water Solubility 2930 mg/L 25 EST
Vapor Pressure 9.45E-03 mm Hg 25 EST
Henry's Law Constant 1.48E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.77E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by Syracuse Research Corporation.
See all available property data for this compound, including references.