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ChemicalBook--->CAS DataBase List--->10381-75-6

10381-75-6

10381-75-6 Structure

10381-75-6 Structure
IdentificationBack Directory
[Name]

8-BROMOTHEOPHYLLINE
[CAS]

10381-75-6
[Synonyms]

Nsc164940
AKOS NCG-0005
bromotheophylline
8-Bromotheophyline
8-BROMOTHEOPHYLLINE
LABOTEST-BB LT00134545
Theophylline, 8-bromo-
8-BROMOTHEOPHYLLINE 97%
8-Bromotheophylline ,97%
1,3-Dimethyl-8-bromoxanthine
8-Bromotheophylline (400 mg)
8-BroMo-1,3-diMethyl-1H-purine-2,6(3H,9H)-dione
8-broMo-1,3-diMethyl-1H-purine-2,6(3H,7H)-dione
8-BROMO-1,3-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE
8-bromo-3,7-dihydro-1,3-dimethyl-1h-purine-6-dione
8-BROMO-3,7-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DIONE
8-Bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3-dimethyl-
8-bromo-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione(SALTDATA: FREE)
[EINECS(EC#)]

233-846-6
[Molecular Formula]

C7H7BrN4O2
[MDL Number]

MFCD00022664
[MOL File]

10381-75-6.mol
[Molecular Weight]

259.06
Chemical PropertiesBack Directory
[Appearance]

White Crystalline Powder
[Melting point ]

295-297°C
[Boiling point ]

469.5±55.0 °C(Predicted)
[density ]

1.862±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

DMSO (Slightly), Methanol (Slightly, Heated)
[form ]

Solid
[pka]

pKa 5.45±0.1(H2O t=24) (Uncertain)
[color ]

White to Off-White
[BRN ]

203069
[CAS DataBase Reference]

10381-75-6
[EPA Substance Registry System]

1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3-dimethyl- (10381-75-6)
Hazard InformationBack Directory
[Chemical Properties]

White Crystalline Powder
[Uses]

The active component in the diuretic Diurex.
[Description]

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.
[Purification Methods]

It is purified by dissolving in the minimum volume of dilute NaOH (charcoal), filtering and acidifying to pH ca 3.5-4. The solid that separates is collected, dried in vacuo at 100o and stored in a dark container. It has also been recrystallised from EtOH or AcOH. [Blitz & Beck J Prakt Chem [2] 118 158 1928, Fischer & Ach Chem Ber 28 3142 1895, Beilstein 26 H 476, 26 II 227, 26 III/IV 2447.]
Safety DataBack Directory
[Risk Statements ]

20/21/22
[Safety Statements ]

24/25-36/37
[RIDADR ]

2811
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29395900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Nitric acid-->Acetic anhydride-->Hydrogen bromide-->Theophylline
[Preparation Products]

8-BROMO-7-(2,3-DIHYDROXYPROPYL)-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-2,6-PURINEDIONE-->Purino[8,7-b]quinazoline-2,4,6(1H,3H,11H)-trione, 1,3-dimethyl- (9CI)-->8-anilino-1,3-dimethyl-7H-purine-2,6-dione-->8-BROMO-7-(3-CHLOROPROPYL)-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
Spectrum DetailBack Directory
[Spectrum Detail]

8-Bromotheophylline(10381-75-6)1HNMR
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