Phentolamine mesylateProduct ingredient for Phentolamine

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
Thumb
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
ChemSpider
82560
ChEMBL
CHEMBL1200873
Wikipedia
Phentolamine
Predicted Properties
PropertyValueSource
Water Solubility0.272 mg/mLALOGPS
logP2.91ALOGPS
logP2.52ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)9.78ChemAxon
pKa (Strongest Basic)9.02ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area47.86 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity84.25 m3·mol-1ChemAxon
Polarizability31.37 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon