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Substance Name: Propantheline bromide [USP:INN:BAN:JAN]
RN: 50-34-0
UNII: UX9Z118X9F
InChIKey: XLBIBBZXLMYSFF-UHFFFAOYSA-M

Note

  • A muscarinic antagonist used as an antispasmodic, in rhinitis, in urinary incontinence, and in the treatment of ulcers. At high doses it has nicotinic effects resulting in neuromuscular blocking.

Molecular Formula

  • C23-H30-N-O3.Br

Molecular Weight

  • 448.398
 

Classification Codes

  • Anticholinergic
  • Drug / Therapeutic Agent
  • Mutation Data
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Names and Synonyms

Name of Substance

  • Propantheline bromide [USP:INN:BAN:JAN]

MeSH Heading

  • Propantheline

Synonyms

  • (2-Hydroxyethyl)diisopropylmethylammonium bromide xanthene-9-carboxylate
  • Bromure de propantheline
  • Bromure de propantheline [INN-French]
  • Bromuro de proantelina
  • Bromuro de proantelina [INN-Spanish]
  • CCRIS 6271
  • Corrigast
  • Diisopropyl(2-hydroxyethyl)methylammonium bromide xanthene-9-carboxylate
  • EINECS 200-030-6
  • Ercorax
  • Ercotina
  • Ketaman
  • Kivatin
  • NCI-C56257
  • Neometantyl
  • Neopepulsan
  • NSC 757294
  • Pantas
  • Pantheline
  • Pervagal
  • Pro-Banthine
  • Pro-Gastron
  • Probantine
  • Prodixamon
  • Propantel
  • Propantelina bromuro
  • Propantelina bromuro [DCIT]
  • Propantheline bromide
  • Propanthelini bromidum
  • Propanthelini bromidum [INN-Latin]
  • SC-3171
  • UNII-UX9Z118X9F
  • Xanthene-9-carboxylic acid, ester with (2-hydroxyethyl)diisopropylmethylammonium bromide

Systematic Names

  • 2-Propanaminium, N-methyl-N-(1-methylethyl)-N-(2-((9H-xanthen-9-ylcarbonyl)oxy)ethyl)-, bromide
  • 2-Propanaminium, N-methyl-N-(1-methylethyl)-N-(2-((9H-xanthen-9-ylcarbonyl)oxy)ethyl)-, bromide (1:1)
  • Ammonium, diisopropyl(2-hydroxyethyl)methyl-, bromide, xanthene-9-carboxylate
  • Propantheline bromide

Registry Numbers

CAS Registry Number

  • 50-34-0

FDA UNII

  • UX9Z118X9F

System Generated Number

  • 0000050340

Molecular Formulas

Molecular Formula

  • C23-H30-N-O3.Br

Molecular Formula Fragments

  • Br
  • C23-H30-N-O3
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C23H30NO3.BrH/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22;/h6-13,16-17,22H,14-15H2,1-5H3;1H/q+1;/p-1

InChIKey

XLBIBBZXLMYSFF-UHFFFAOYSA-M

Smiles

[Br-].CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc3ccccc13)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intravenous 51mg/kg (51mg/kg)   Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 151, Pg. 614, 1957.
mouse LD50 intraperitoneal 60mg/kg (60mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 65, Pg. 326, 1969.
mouse LD50 intravenous 6400ug/kg (6.4mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 Toxicology and Applied Pharmacology. Vol. 1, Pg. 391, 1959.
mouse LD50 oral 445mg/kg (445mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 319, 1970.
mouse LD50 subcutaneous 128mg/kg (128mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 65, Pg. 326, 1969.
rabbit LD50 oral 750mg/kg (750mg/kg)   Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 36, 1973.
rat LD50 intraduodenal 125mg/kg (125mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 180, Pg. 155, 1969.
rat LD50 intraperitoneal 25mg/kg (25mg/kg)   Compilation of LD50 Values of New Drugs.
rat LD50 intravenous 4mg/kg (4mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION		 Toxicology and Applied Pharmacology. Vol. 1, Pg. 391, 1959.
rat LD50 oral 370mg/kg (370mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 180, Pg. 155, 1969.
rat LD50 subcutaneous 298mg/kg (298mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 180, Pg. 155, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 159.5 deg C   EXP
log P (octanol-water) 2.550 (none)   EST
Atmospheric OH Rate Constant 6.30E-11 cm3/molecule-sec 25 EST

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