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Substance Name: Anisotropine methylbromide [USAN:INN:JAN]
RN: 80-50-2
UNII: 62M960DHIL
InChIKey: QSFKGMJOKUZAJM-CNKDKAJDSA-M

Classification Codes

  • Anticholinergic
  • Cholinergic Agents
  • Cholinergic Antagonists
  • Drug / Therapeutic Agent
  • Muscarinic Antagonists
  • Neurotransmitter Agents

Molecular Formula

  • C17-H32-N-O2.Br

Molecular Weight

  • 362.3488
 
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Names and Synonyms

Name of Substance

  • Anisotropine methylbromide
  • Anisotropine methylbromide [USAN:INN:JAN]
  • Octatropine methylbromide [INN]

Synonyms

  • 1alphaH,5alphaH-Tropanium, 3alpha-hydroxy-8-methyl-, bromide, 2-propylvalerate
  • 2-Propylpentanoyltropinium methylbromide
  • 3-alpha-Hydroxy-8-methyl-1-alpha-H,5-alpha-H-tropanium bromide 2-propylvalerate
  • 3alpha-Hydroxy-8-methyl-1alphaH,5alphaH-tropanium bromide 2-propylvalerate
  • 8-Azoniabicyclo(3.2.1)octane, 8,8-dimethyl-3-((1-oxo-2-propylpentyl)oxy)-, bromide, endo-
  • 8-Methyl-3-(2-propylpentanoyloxy)tropinium bromide
  • 8-Methyltropinium bromide 2-propylpentanoate
  • 8-Methyltropinium bromide 2-propylvalerate
  • Anisotropine methobromide
  • Anisotropine methylbromide
  • EINECS 201-285-6
  • endo-8,8-Dimethyl-3-((1-oxo-2-propylpentyl)oxy)-8-azoniabicyclo(3.2.1)octane bromide
  • Endovalpin
  • HSDB 3010
  • Lytispasm
  • Methylbromure d'octatropine
  • Methylbromure d'octatropine [INN-French]
  • Metilbromuro de octatropina
  • Metilbromuro de octatropina [INN-Spanish]
  • Octatropine methylbromide
  • Octatropini methylbromidum
  • Octatropini methylbromidum [INN-Latin]
  • UNII-62M960DHIL
  • Valpin
  • Valpin 50

Systematic Names

  • 1-alpha-H,5-alpha-H-Tropanium, 3-alpha-hydroxy-8-methyl-, bromide, 2-propylvalerate
  • 8-Azoniabicyclo(3.2.1)octane, 8,8-dimethyl-3-((1-oxo-2-propylpentyl)oxy)-, bromide, endo-
  • Octatropine methylbromide

Registry Numbers

CAS Registry Number

  • 80-50-2

FDA UNII

  • 62M960DHIL

System Generated Number

  • 0000080502

Molecular Formulas

Molecular Formula

  • C17-H32-N-O2.Br

Molecular Formula Fragments

  • Br
  • C17-H32-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C17H32NO2.BrH/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1/t14-,15+,16+;

InChIKey

QSFKGMJOKUZAJM-CNKDKAJDSA-M

Smiles

CCCC(CCC)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 129mg/kg (129mg/kg)   Drugs in Japan Vol. 6, Pg. 24, 1982.
mouse LD50 intravenous 6300ug/kg (6.3mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 2, Pg. 70, 1968.
mouse LD50 oral 850mg/kg (850mg/kg)   Drugs in Japan Vol. 6, Pg. 24, 1982.
mouse LD50 subcutaneous 133mg/kg (133mg/kg)   Drugs in Japan Vol. 6, Pg. 24, 1982.
rat LD50 oral 705mg/kg (705mg/kg)   Drugs in Japan Vol. 6, Pg. 24, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 329 deg C   EXP
log P (octanol-water) 0.600 (none)   EST
Water Solubility 1600 mg/L 25 EST
Vapor Pressure 7.85E-11 mm Hg 25 EST
Henry's Law Constant 3.46E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.32E-11 cm3/molecule-sec 25 EST

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