Phentolamine mesylateProduct ingredient forPhentolamine
- Name
- Phentolamine mesylate
- Drug Entry
-
Phentolamine
A nonselective alpha-adrenergic antagonist. It is used in the treatment of hypertension and hypertensive emergencies, pheochromocytoma, vasospasm of raynaud disease and frostbite, clonidine withdrawal syndrome, impotence, and peripheral vascular disease.
- Accession Number
- DBSALT000980
- Structure
-
Structure for Phentolamine mesylate (DBSALT000980)
- Synonyms
- Phentolamine mesilate/Phentolamine mesylate/Regitine mesylate/Regitine methanesulfonate
- UNII
- Y7543E5K9T
- CAS Number
- 65-28-1
- Weight
-
Average: 377.46
Monoisotopic: 377.140927407 - Chemical Formula
- C18H23N3O4S
- InChI Key
- OGIYDFVHFQEFKQ-UHFFFAOYSA-N
- InChI
-
InChI=1S/C17H19N3O.CH4O3S/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;1-5(2,3)4/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H3,(H,2,3,4)
- IUPAC Name
-
3-{[(4,5-dihydro-1H-imidazol-2-yl)methyl](4-methylphenyl)amino}phenol; methanesulfonic acid
- SMILES
-
CS (O) (= O) = O.CC1 = CC = C (C = C1) N(CC1=NCCN1)C1=CC(O)=CC=C1
- External Links
-
- ChemSpider
- 82560
- ChEMBL
- CHEMBL1200873
- Wikipedia
- Phentolamine
- Predicted Properties
-
Property Value Source Water Solubility 0.272 mg/mL ALOGPS logP 2.91 ALOGPS logP 2.52 Chemaxon logS -3 ALOGPS pKa (Strongest Acidic) 9.78 Chemaxon pKa (Strongest Basic) 9.02 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 47.86 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 84.25 m3·mol-1 Chemaxon Polarizability 31.37 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon
