PamabromProduct ingredient for Bromotheophylline
- Name
- Pamabrom
- Drug Entry
- Bromotheophylline
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.1 Bromotheophylline is categorized on the FDA as a drug substance with an inactive state since March, 1980.3 It is also approved by Health Canada to be used alone or in combination with Acetaminophen in OTC products.4
- Accession Number
- DBSALT002688 (DB11106)
- Structure
Structure for Pamabrom (DBSALT002688)
- Synonyms
- 2-Amino-2-methylpropanol 8-bromotheophyllinate
- UNII
- UA8U0KJM72
- CAS Number
- 606-04-2
- Weight
- Average: 348.201
Monoisotopic: 347.059302 - Chemical Formula
- C11H18BrN5O3
- InChI Key
- ATOTUUBRFJHZQG-UHFFFAOYSA-N
- InChI
- InChI=1S/C7H7BrN4O2.C4H11NO/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(2,5)3-6/h1-2H3,(H,9,10);6H,3,5H2,1-2H3
- IUPAC Name
- 2-amino-2-methylpropan-1-ol; 8-bromo-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
- SMILES
- CC(C)(N)CO.CN1C2=C(NC(Br)=N2)C(=O)N(C)C1=O
- External Links
- PubChem Compound
- 11806
- PubChem Substance
- 347827898
- ChemSpider
- 11313
- ChEMBL
- CHEMBL2104825
- Wikipedia
- Pamabrom
- Predicted Properties
Property Value Source Water Solubility 3.92 mg/mL ALOGPS logP 0.23 ALOGPS logP 0.29 Chemaxon logS -1.8 ALOGPS pKa (Strongest Acidic) 5.58 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 69.3 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 52.56 m3·mol-1 Chemaxon Polarizability 20.67 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon