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Substance Name: Isometheptene [INN:BAN]
RN: 503-01-5
UNII: Y7L24THH6T
InChIKey: XVQUOJBERHHONY-UHFFFAOYSA-N

Molecular Formula

  • C9-H19-N

Molecular Weight

  • 141.256
 
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Names and Synonyms

Results Name

  • Isometheptene [INN:BAN]

Name of Substance

  • Isometheptene
  • Isometheptene [INN:BAN]

Synonyms

  • 2-Methyl-6-methylamino-2-heptene
  • 3-04-00-00467 (Beilstein Handbook Reference)
  • 6-Methylamino-2-methylheptene
  • BRN 1742093
  • EC 207-959-6
  • EINECS 207-959-6
  • Isometepteno
  • Isometepteno [INN-Spanish]
  • Isometheptene
  • Isometheptenum
  • Isometheptenum [INN-Latin]
  • Isonyl
  • Methylisooctenylamine
  • Methyloctenylamine
  • N,1,5-Trimethyl-4-hexenylamine
  • Octanil
  • Octin
  • Octinum
  • Octon
  • UNII-Y7L24THH6T

Systematic Names

  • 4-Hexenylamine, N,1,5-trimethyl-
  • 5-Hepten-2-amine, N,6-dimethyl-
  • Isometheptene
  • N,6-Dimethyl-5-hepten-2-amine

Registry Numbers

CAS Registry Number

  • 503-01-5

FDA UNII

  • Y7L24THH6T

Other Registry Number

  • 65783-53-1

Related Registry Numbers

  • 5984-50-9 (monotartrate)
  • 6168-86-1 (mono-hydrochloride)
  • 7492-31-1 (mucate[2:1])

System Generated Number

  • 0000503015

Structure Descriptors

InChI

InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3

InChIKey

XVQUOJBERHHONY-UHFFFAOYSA-N

Smiles

CNC(C)CCC=C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 42mg/kg (42mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 377, 1956.
mouse LD50 intravenous 34mg/kg (34mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 227, Pg. 71, 1955.
mouse LD50 oral 134mg/kg (134mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 377, 1956.
mouse LD50 subcutaneous 100mg/kg (100mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD "Zur Pharmakologie des Octins, Dissertation," Fiegenbaum, A., Pharmakologischen Institut der Westfalischen Wilhelms-Universitat, Munster, Fed. Rep. Ger., 1935Vol. -, Pg. -, 1935.
rabbit LDLo intravenous 50mg/kg (50mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD "Zur Pharmakologie des Octins, Dissertation," Fiegenbaum, A., Pharmakologischen Institut der Westfalischen Wilhelms-Universitat, Munster, Fed. Rep. Ger., 1935Vol. -, Pg. -, 1935.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 177 deg C   EXP
log P (octanol-water) 3.030 (none)   EST
Atmospheric OH Rate Constant 1.76E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.