Grundinformationen
- CAS
10381-75-6- Standard-SMILES
Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O- InChIKey
SKTFQHRVFFOHTQ-UHFFFAOYSA-N- Summenformel
- C7H7BrN4O2
- Durchschnittliche Molmasse
- 259,06 g/mol
- Monoisotopische Masse
- 257,97524
Namen und Bezeichner
- Bevorzugter Name
- Bromotheophylline
- IUPAC
- 8-bromo-1,3-dimethyl-7H-purine-2,6-dione
- Lokaler Name
- 8-Bromtheophyllin
- Englischer Name
- 8-Bromotheophylline
- Summenformel
- C7H7BrN4O2
- Molmasse
- 259.06
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
10381-75-6- PubChem CID
- 11808
- DTXSID
DTXSID7044768- UNII
- FZG87K1MQ6
- EC Number
- 233-846-6
- Nikkaji
- J236.804H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 69,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 297
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 295 · 295-297°C
- Siedepunkt
- 469.5 · 469.5±55.0 °C(Predicted)
- Dichte
- 1.862 · 1.862±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly, Heated)
- pka
- 5.45 · pKa 5.45±0.1(H2O t=24) (Uncertain)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- BRN
- 203069 · 203069
- CAS Datenbank
- 10381 · 10381-75-6
- EPA chemische Informationen
- 1 H-Purine-2,6-dione, · 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3-dimethyl- (10381-75-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Sicherheitsdaten
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 29395900
- risk_code
- 20/21/22
- safety_code
- 24/25-36/37
- hazard_class
- 6.1(b)
- packing_group
- III
Chemie und Industrie
Pharmakologische Informationen
Pharmacodynamics
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.
Mechanism of Action
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.
Absorption, Distribution and 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.
This pharmacokinetic property has not been determined.
Verwendung und Herstellung
Anwendungen
VerwendenThe active component in the diuretic Diurex.
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