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Basic information

  • Name:
  • 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-[2-[(1-methyl-2-phenylethyl)amino]ethyl]-,hydrochloride (1:1)

  • CAS No.:
  • 1892-80-4

  • Molecular Structure:
  • Formula:
  • C18H23 N5 O2 . Cl H
  • Molecular Weight:
  • 377.92
  • Synonyms:
  • 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-[2-[(1-methyl-2-phenylethyl)amino]ethyl]-,monohydrochloride (9CI); Theophylline, 7-[2-[(a-methylphenethyl)amino]ethyl]-, monohydrochloride(8CI); 7-[2-(1-Methyl-2-phenylethylamino)ethyl]theophylline hydrochloride;7-[2-[(a-Methylphenethyl)amino]ethyl]theophyllinehydrochloride; Amfetyline hydrochloride; Biocapton; Captagon hydrochloride;Fenethylline hydrochloride; H 814; NSC 169872
  • Density:
  • 1.26g/cm3
  • Boiling Point:
  • 563.8°Cat760mmHg
  • Flash Point:
  • 294.8°C
  • Safety Description:
  • Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and HCl. See also THEOPHYLLINE and other theophylline entries. A stimulant. Details

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Chemistry

Product Name: Captagon hydrochloride (CAS NO.1892-80-4)


Molecular Formula: C18H24ClN5O2
Molecular Weight: 377.8685 g/mol
Mol File: 1892-80-4.mol
Boiling point: 563.8 °C at 760 mmHg
Flash Point: 294.8 °C
Enthalpy of Vaporization: 84.72 kJ/mol
Vapour Pressure: 9.8E-13 mmHg at 25°C
XLogP3-AA:
H-Bond Donor: 2
H-Bond Acceptor: 4

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 89mg/kg (89mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 190, 1958.
mouse LD50 intravenous 55mg/kg (55mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 230, 1972.
mouse LD50 oral 347mg/kg (347mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 230, 1972.
mouse LD50 subcutaneous 80mg/kg (80mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 230, 1972.
rat LD50 intraperitoneal 57mg/kg (57mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 230, 1972.
rat LD50 oral 100mg/kg (100mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 230, 1972.
rat LD50 subcutaneous 196mg/kg (196mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 230, 1972.

Safety Profile

Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and HCl. See also THEOPHYLLINE and other theophylline entries. A stimulant.

Specification

 Captagon hydrochloride ,its CAS NO. is 1892-80-4,the synonyms is 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-((1-
methyl-2-phenylethyl)amino)ethyl)-, monohydrochloride ; 7-(2-((alpha-Methylphenethyl)amino)ethyl)theophylline hydrochloride ; 7-(2-((alpha-Methylphenethyl)amino)ethyl)theophylline monohydrochloride ; 7-(2-(1-Methyl-2-phenylethylamino)ethyl)theophylline hydrochloride ; 7-(Phenyl-isopropyl-amino-aethyl)-theophyllin-hydrochlorid ; Amfetyline hydrochloride ; BZT ; Biocapton ; Captagon hydrochloride ; Fenethylline HCl ; Fenethylline hydrochloride ; Fenetylline ; 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-((1-methyl-2-phenylethyl)amino)ethyl)-, monohydrochloride ; Fenetylline hydrochloride ; Theophylline, 7-(2-((alpha-methylphenethyl)amino)ethyl)-, hydrochloride ; Theophylline, 7-(2-((alpha-methylphenethyl)amino)ethyl)-, monohydrochloride (8CI) .

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