8-Bromo-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione
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8-Bromo-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione
structure -
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CAS No:
10381-75-6
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Formula:
C7H7BrN4O2
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Chemical Name:
8-Bromo-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione
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Synonyms:
1H-Purine-2,6-dione,8-bromo-3,9-dihydro-1,3-dimethyl-;Theophylline,8-bromo-;1H-Purine-2,6-dione,8-bromo-3,7-dihydro-1,3-dimethyl-;8-Bromo-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione;Bromotheophylline;8-Bromotheophylline;Bromotheaminum;NSC 164940;8-Bromo-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
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CAS No:
Description
White Crystalline Powder
Bromotheophylline is the active moiety of pamabrom, a mixture of 2-amino-2-methyl-propanol and bromotheophylline. From this mixture, bromotheophylline acts as a weak diuretic that has been used along with some analgesics to relieve the symptoms of premenstrual syndrome. Bromotheophylline is categorized on the FDA as a drug substance with an inactive state since March, 1980. It is also approved by Health Canada to be used alone or in combination with [DB00316] in OTC products.
8-Bromo-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione Basic Attributes
259.06
259.06
233-846-6
FZG87K1MQ6
164940
DTXSID7044768
29395900
Characteristics
69.3
0.08
White crystalline powder
1.862±0.06 g/cm3(Predicted)
307-309 °C @ Solvent: 1,4-Dioxane
Decomposes at 300 ºC
237.7±31.5 °C
1.652
H2O: soluble
-20°C Freezer
5.49E-09mmHg at 25°C
5.45None
Safety Information
III
6.1(b)
2811
20/21/22
24/25-36/37
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Toxicity
In overdose, bromotheophylline does not produce hepatic toxicity.
This pharmacokinetic property has not been determined.
Drug Information
Bromotheophylline is used as a diuretic and also, in combination with [DB00316], it is used for the relief of temporary water weight gain, bloating, swelling and full feeling associated with the premenstrual and menstrual periods.
Bromotheophylline diuretic action will produce an immediate increase in urination frequency. This effect aids in the relief of bloating and menstrual pain. This diuretic function is performed by the an increase in glomerular filtration and a potential effect in the tubular reabsorption as it is established that the administration of these agents produce a rise in the urinary concentration of sodium a chloride and thus, an increase in their rates of excretion.
When administered after one single oral dosage, bromotheophylline is rapidly absorbed and it reaches a maximal plasma concentration of 2.5 mg/L in 0.78 hours. The mean residence time is registered to be of 12 hours with an AUC in the first 8 hours of 27 mg.h/L.|This pharmacokinetic property has not been determined.
This pharmacokinetic property has not been determined.
The apparent elimination half-life is registered to be 21.35 hours.
Bromotheophylline is part of the group of the xanthines. As part of this group, it is thought that bromotheophylline increases the permeability of the renal tubule, increases glomerular filtration rate and inhibits the sodium reabsorption in the proximal tubule. It is thought but not confirmed that pamabrom as a mixture seems to have an additional mechanism of action in which the presence of 2-amino-2-methyl-1-propanol produces the suppression of the antidiuretic hormone in the posterior pituitary gland.
8-Bromo-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione Use and Manufacturing
The active component in the diuretic Diurex.
1H-Purine-2,6-dione, 8-bromo-3,9-dihydro-1,3-dimethyl-: INACTIVE
Computed Properties
Molecular Weight:259.06
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:257.97524
Monoisotopic Mass:257.97524
Topological Polar Surface Area:69.3
Heavy Atom Count:14
Complexity:297
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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8-Bromo-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione
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