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Substance Name: Banthine chloride
RN: 63957-56-2
InChIKey: WPWZGEGFOHKFHG-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N-O3.Cl

Molecular Weight

  • 375.893
 
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Names and Synonyms

Name of Substance

  • Banthine chloride

Synonym

  • Banthine chloride

Systematic Name

  • Ammonium, diethyl(2-hydroxyethyl)methyl-, chloride, xanthene-9-carboxylate

Registry Numbers

CAS Registry Number

  • 63957-56-2

System Generated Number

  • 0063957562

Molecular Formulas

Molecular Formula

  • C21-H26-N-O3.Cl

Molecular Formula Fragments

  • C21-H26-N-O3
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26NO3.ClH/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20;/h6-13,20H,4-5,14-15H2,1-3H3;1H/q+1;/p-1

InChIKey

WPWZGEGFOHKFHG-UHFFFAOYSA-M

Smiles

C1(c2c(Oc3c1cccc3)cccc2)C(OCC[N+](CC)(CC)C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 46mg/kg (46mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 245, 1950.
mouse LD50 oral 333mg/kg (333mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 245, 1950.
rat LD50 oral 1360mg/kg (1360mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 245, 1950.