Phentolamine, methane sulfonate
Basic information
- CAS
65-28-1- Standard SMILES
CS(=O)(=O)[O-].Cc1ccc(N(CC2=NCC[NH2+]2)c2cccc(O)c2)cc1- InChIKey
OGIYDFVHFQEFKQ-UHFFFAOYSA-N- Molecular formula
- C18H23N3O4S
- Average molar mass
- 377.5 g/mol
- Monoisotopic mass
- 377.1409274
Overview
See also: Phentolamine Methanesulfonate (preferred).
Names & identifiers
- Preferred name
- Phentolamine, methane sulfonate
- IUPAC
- 3-[N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-4-methylanilino]phenol;methanesulfonate
- English name
- Phentolamine mesilate
- Molecular formula
- C18H23N3O4S
- Molecular weight
- 377.46
Names & synonyms
Phentolamine, methane sulfonatePHENTOLAMINE MESYLATEREGITINVASOMAXPhentoLFE202158FE 202158amine MesyLPhentolamine meREGITIN MESYLATEregitinemesylate
Database identifiers
- CAS
65-28-1- PubChem CID
- 517293
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 442
Physicochemical properties
- Melting point
- 180 · 180-182 °C(lit.)
- Density
- 1.2256 · 1.2256 (rough estimate)
- refractive index
- 1.632 · 1.6320 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- 26 mg/mL · ethanol: 26 mg/mL
- form
- powder
- color
- white to off-white
- Water Solubility
- 50 mg/mL · 50 mg/mL
- Merck
- 14 · 14,7264
- Stability
- Aq. Solutions Cannot be Stored
- 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)
- InChIKey
- OGIYDFVHFQEFKQ-UHFFFAOYSA-N
- SMILES
- N(CC1=NCCN1)(C1C=CC(C)=CC=1)C1C=CC=C(O)C=1.S(=O)(=O)(O)C
- FDA UNII
- 7543 E5K9T · Y7543E5K9T
- NCI Drug Dictionary
- phentolamine mesylate
- UNSPSC Code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- SL5430000
- ridadr
- 3249
- hs_code
- 29332900
- Toxicity
- LDLo scu-rat: 275 mg/kg NIIRDN 6,667,82
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36
- hazard_class
- 6.1(b)
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesPhentolamine mesilate is an adrenergic blocking agent and antihypertensive. 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.
General DescriptionPhentolamine Mesylate belongs to the class of alpha adrenergic antagonist drugs. It is used in the treatment of pheochromocytoma-related hypertension, erectile dysfunction and in the diagnosis of pheochromocytoma and norepinephrine-related dermal necrosis.
Upstream & downstream products
Upstream raw materials
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