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CAS No 83-67-0 , 3,7-dimethylpurine-2,6-dione Search by region : Germany

  • Name: 3,7-dimethylpurine-2,6-dione
  • Synonyms: 83-67-0; Theostene; Thesal; Theosalvose;3,7-dimethylpurine-2,6-dione;3,7-Dimethylxanthine; Diurobromine; Thesodate; Teobromin; Santheose;
  • CAS Registry Number:
  • Transport: OTH
  • Melting Point: 290-295 ºC
  • Boiling Point: Sublimes 290-295 deg C
  • Density: 1.50
  • Refractive index: 1.737
  • Safety Statements: R22
  • Hazard Symbols: Xn: Harmful;
  • EINECS: 201-494-2
  • Molecular Weight: 180.16402
  • InchiKey: YAPQBXQYLJRXSA-UHFFFAOYSA-N
  • InChI: InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,
    13)
  • Risk Statements: S22;S24/25
  • Molecular Formula: C7H8N4O2
  • Molecular Structure:CAS No:83-67-0 3,7-dimethylpurine-2,6-dione

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83-67-0 THEOBROMINE; 99%

  • Germany ABCR GmbH & Co KG [Manufacturer]
  • Tel: +49 721 95061-0
  • Fax: +49 721 95061-80
  • Address: Im Schlehert 10
    76187 Karlsruhe
    Germany null,nullGermany
Contact Supplier

83-67-0 THEOBROMINE

  • Germany CHEMOS GmbH [Manufacturer]
  • Tel: 0049 9402/9336 0
  • Fax: 0049 9402/9336 13
  • Address: CHEMOS GmbH
    Werner-von-Siemensstr. 3
    93128 Regenstauf
    Germany null,nullGermany
Contact Supplier

83-67-0 THEOBROMINE

  • Germany Cfm Oskar Tropitzsch [Manufacturer]
  • Tel: +49-9231-9619-0
  • Fax: +49-9231-9619-60
  • Address: Cfm Oskar Tropitzsch
    Waldershofer Str. 49-51
    95615 Marktredwitz
    Germany null,nullGermany
Contact Supplier

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References of 3,7-dimethylpurine-2,6-dione
Title: Theobromine
CAS Registry Number: 83-67-0
CAS Name: 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione
Synonyms: 3,7-dimethylxanthine
Molecular Formula: C7H8N4O2
Molecular Weight: 180.16
Percent Composition: C 46.67%, H 4.48%, N 31.10%, O 17.76%
Literature References: The principal alkaloid of the cacao bean which contains 1.5-3% of the base. Also present in cola nuts and in tea. Usually extracted from the hull of cacao beans which contains 0.7-1.2%. Extraction process: Schwyzer, Die Fabrikation pharmazeutischer und chemisch-technischer Produkte (Berlin, 1931). Synthesis starting with 3-methyluric acid: Fischer, Ach, Ber. 31, 1980 (1898); cf. Gebner, Krebs, J. Gen. Chem. USSR 16, 179-186 (1946). Comparison with theophylline, q.v., of metabolism in humans: D. J. Birkett et al., Drug Metab. Dispos. 13, 725 (1985). Pharmacokinetics: A. Lelo et al., Br. J. Clin. Pharmacol. 22, 177 (1986). Bronchodilator effect in asthma: F. E. R. Simons et al., J. Allergy Clin. Immunol. 76, 703 (1985).
Properties: Monoclinic needles (lamellar twinning on 001) from water, mp 357°. Sublimes 290-295°. Kb at 18°: 1.3 ′ 10-14; Ka 0.9 ′ 10-10. Absorption spectrum: Hartley, J. Chem. Soc. 87, 1803, 1810 (1905). One gram dissolves in about 2000 ml water, 150 ml boiling water, 2220 ml 95% alcohol; sol in the fixed alkali hydroxides, concd acids, in about 22 parts of 20% aq tribasic sodium phosphate soln; moderately sol in ammonia. Almost insol in benzene, ether, chloroform, carbon tetrachloride. Forms salts which are dec by water, and compds with bases which are more stable.
Melting point: mp 357°
 
Derivative Type: Calcium salicylate
CAS Registry Number: 8065-51-8
Trademarks: Theocalcin (Knoll); Calcium Diuretin
Properties: Double salt or mixture of calcium theobromine and calcium salicylate. Contains no less than 44% theobromine. White, amorphous powder. Slightly saline taste. Partly sol in water. Aq solns are alkaline to phenolphthalein.
 
Derivative Type: Sodium acetate
CAS Registry Number: 8002-88-8
Trademarks: Thesodate
Properties: Equimolar mixture of sodium theobromine and sodium acetate, containing 1H2O. Theobromine 59.6%, anhydr sodium acetate 27.1%. White, odorless or almost odorless, hygroscopic powder. Absorbs CO2 from the air becoming incompletely sol. Very sol in water, sparingly sol in cold alcohol; the solns are strongly alkaline. pH about 10. Keep tightly closed.
 
Derivative Type: Sodium salicylate
CAS Registry Number: 8048-31-5
Trademarks: Diuretin (Knoll)
Properties: Equimolar mixture of sodium theobromine and sodium salicylate, containing 1H2O. Theobromine 47.3%, sodium salicylate 42.1%. White, odorless or almost odorless, hygroscopic powder. Absorbs CO2 from the air and becomes incompletely soluble. Soluble in 1 part water; slightly sol in alcohol; the solns are strongly alkaline. pH about 10.
 
Therap-Cat: Diuretic, bronchodilator, cardiotonic.
Therap-Cat-Vet: Diuretic, myocardial stimulant, vasodilator.
Keywords: Bronchodilator; Xanthine Derivatives; Cardiotonic; Diuretic; Purines.