Debrisoquine sulfateProduct ingredient for Debrisoquine
- Name
- Debrisoquine sulfate
- Drug Entry
- Debrisoquine
An adrenergic neuron-blocking drug similar in effects to guanethidine. It is also noteworthy in being a substrate for a polymorphic cytochrome P-450 enzyme. Persons with certain isoforms of this enzyme are unable to properly metabolize this and many other clinically important drugs. They are commonly referred to as having a debrisoquin 4-hydroxylase polymorphism.
- Accession Number
- DBSALT000370
- Structure
Structure for Debrisoquine sulfate (DBSALT000370)
- Synonyms
- Debrisoquin sulfate
- UNII
- Q94064N9NW
- CAS Number
- 581-88-4
- Weight
- Average: 448.539
Monoisotopic: 448.189274104 - Chemical Formula
- C20H28N6O4S
- InChI Key
- CAYGYVYWRIHZCQ-UHFFFAOYSA-N
- InChI
- InChI=1S/2C10H13N3.H2O4S/c2*11-10(12)13-6-5-8-3-1-2-4-9(8)7-13;1-5(2,3)4/h2*1-4H,5-7H2,(H3,11,12);(H2,1,2,3,4)
- IUPAC Name
- bis(1,2,3,4-tetrahydroisoquinoline-2-carboximidamide); sulfuric acid
- SMILES
- OS(O)(=O)=O.NC(=N)N1CCC2=CC=CC=C2C1.NC(=N)N1CCC2=CC=CC=C2C1
- External Links
- PubChem Compound
- 11391
- ChemSpider
- 10913
- ChEBI
- 50973
- ChEMBL
- CHEMBL1593558
- Predicted Properties
Property Value Source Water Solubility 0.842 mg/mL ALOGPS logP 0.58 ALOGPS logP 1.07 Chemaxon logS -2.3 ALOGPS pKa (Strongest Basic) 12.47 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 53.11 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 63.85 m3·mol-1 Chemaxon Polarizability 19.46 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon