Bamethan sulfateProduct ingredient for Bamethan
- Name
- Bamethan sulfate
- Drug Entry
- Bamethan
- Accession Number
- DBSALT002804
- Structure
Structure for Bamethan sulfate (DBSALT002804)
- Synonyms
- Bamethan hemisulfate / Bamethan sulphate
- UNII
- W2L3E1W827
- CAS Number
- 5716-20-1
- Weight
- Average: 516.65
Monoisotopic: 516.25053743 - Chemical Formula
- C24H40N2O8S
- InChI Key
- PARMADWNFXEEFC-UHFFFAOYSA-N
- InChI
- InChI=1S/2C12H19NO2.H2O4S/c2*1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10;1-5(2,3)4/h2*4-7,12-15H,2-3,8-9H2,1H3;(H2,1,2,3,4)
- IUPAC Name
- bis(4-[2-(butylamino)-1-hydroxyethyl]phenol); sulfuric acid
- SMILES
- OS(O)(=O)=O.CCCCNCC(O)C1=CC=C(O)C=C1.CCCCNCC(O)C1=CC=C(O)C=C1
- External Links
- ChemSpider
- 20633
- ChEBI
- 31251
- ChEMBL
- CHEMBL2106636
- Predicted Properties
Property Value Source Water Solubility 1.85 mg/mL ALOGPS logP 1.09 ALOGPS logP 1.14 Chemaxon logS -2 ALOGPS pKa (Strongest Acidic) 9.2 Chemaxon pKa (Strongest Basic) 9.96 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 52.49 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 61.12 m3·mol-1 Chemaxon Polarizability 24.6 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon