Bethanidine sulfateProduct ingredient for Bethanidine
- Name
- Bethanidine sulfate
- Drug Entry
- Bethanidine
A guanidinium antihypertensive agent that acts by blocking adrenergic transmission.
- Accession Number
- DBSALT000194
- Structure
Structure for Bethanidine sulfate (DBSALT000194)
- Synonyms
- Not Available
- UNII
- J4THI5N7O2
- CAS Number
- 114-85-2
- Weight
- Average: 452.571
Monoisotopic: 452.220574232 - Chemical Formula
- C20H32N6O4S
- InChI Key
- YTIJUXVIZLYQTB-UHFFFAOYSA-N
- InChI
- InChI=1S/2C10H15N3.H2O4S/c2*1-11-10(12-2)13-8-9-6-4-3-5-7-9;1-5(2,3)4/h2*3-7H,8H2,1-2H3,(H2,11,12,13);(H2,1,2,3,4)
- IUPAC Name
- bis(N'-benzyl-N,N''-dimethylguanidine); sulfuric acid
- SMILES
- OS(O)(=O)=O.CNC(NCC1=CC=CC=C1)=NC.CNC(NCC1=CC=CC=C1)=NC
- External Links
- PubChem Compound
- 8248
- ChemSpider
- 7952
- ChEBI
- 31279
- ChEMBL
- CHEMBL2110368
- Predicted Properties
Property Value Source Water Solubility 1.58 mg/mL ALOGPS logP 1.41 ALOGPS logP 1.27 Chemaxon logS -2 ALOGPS pKa (Strongest Basic) 12.41 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 36.42 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 54.5 m3·mol-1 Chemaxon Polarizability 20.47 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon