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Substance Name: Atropine methylbromide [JAN]
RN: 2870-71-5
UNII: 63IFT0IX9N
InChIKey: XMLNCADGRIEXPK-KUMOIWDRSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H26-N-O3.Br

Molecular Weight

  • 384.3114
 
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Names and Synonyms

Name of Substance

  • Atropine methylbromide [JAN]

Synonyms

  • (RS)-8-Methyl-3alpha-tropoyloxy-1alphaH,5alphaH-tropaniumbromid
  • 3-alpha-Hydroxy-8-methyl-1-alpha,5-alpha-H-tropanium bromide (+-)tropate
  • 3alpha-Hydroxy-8-methyl-1alphaH,5alphaH-tropanium bromide
  • 8-Methylatropinium bromide
  • Atropine methobromide
  • Atropine methylbromide
  • Atropinium, 8-methyl-, bromide
  • Atropinum methylobromatum
  • EINECS 220-700-1
  • Hyoscyamine methylbromide
  • Methylatropine (bromure de)
  • Methylatropine bromide
  • Methylatropini bromidum
  • Methylatropinium bromide
  • Methylatropinium bromidum
  • Mintussin
  • Mydriasin
  • N-Methylatropine bromide
  • N-Methylatropinium bromide
  • NSC 61810
  • Tropin
  • UNII-63IFT0IX9N

Systematic Names

  • 1-alpha-H,5-alpha-H-Tropanium, 3-alpha-hydroxy-8-methyl-, bromide, (+-)-tropate (ester)
  • 1alphaH,5alphaH-Tropanium, 3alpha-hydroxy-8-methyl-, bromide, (+-)-tropate (8CI)
  • 8-Azoniabicyclo(3.2.1)octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, bromide (1:1), (3-endo)-
  • 8-Azoniabicyclo(3.2.1)octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, bromide, (3-endo)-
  • 8-Azoniabicyclo(3.2.1)octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, bromide, endo-(+-)-
  • N-Methylatropinium bromide

Registry Numbers

CAS Registry Number

  • 2870-71-5

FDA UNII

  • 63IFT0IX9N

Related Registry Number

  • 31610-87-4 (Parent)

System Generated Number

  • 0002870715

Molecular Formulas

Molecular Formula

  • C18-H26-N-O3.Br

Molecular Formula Fragments

  • Br
  • C18-H26-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C18H26NO3.BrH/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;/h3-7,14-17,20H,8-12H2,1-2H3;1H/q+1;/p-1/t14-,15+,16+,17?;

InChIKey

XMLNCADGRIEXPK-KUMOIWDRSA-M

Smiles

[Br-].C[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intravenous 118mg/kg (118mg/kg)   Drugs in Japan Vol. -, Pg. 1172, 1990.
guinea pig LD50 subcutaneous 358mg/kg (358mg/kg)   Drugs in Japan Vol. -, Pg. 1172, 1990.
mouse LD50 intraperitoneal 75mg/kg (75mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 1727, 1971.
mouse LD50 intravenous 9950ug/kg (9.95mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 53, Pg. 1125, 1957.
mouse LD50 oral 1640mg/kg (1640mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 53, Pg. 1125, 1957.
mouse LD50 subcutaneous 242mg/kg (242mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 1132, 1968.
rat LD50 intraduodenal 312mg/kg (312mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 180, Pg. 155, 1969.
rat LD50 oral 1050mg/kg (1050mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 180, Pg. 155, 1969.
rat LD50 subcutaneous 1800mg/kg (1800mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 180, Pg. 155, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.610 (none)   EST
Water Solubility 5.00E+05 mg/L 20 EXP
Vapor Pressure 1.20E-15 mm Hg 25 EST
Henry's Law Constant 2.48E-20 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.63E-11 cm3/molecule-sec 25 EST

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