Basic information
- CAS
73-05-2- Standard SMILES
Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1.[Cl-].[H+]- InChIKey
TUEJFGFQYKDAPM-UHFFFAOYSA-N- Molecular formula
- C17H20ClN3O
- Average molar mass
- 317.8 g/mol
- Monoisotopic mass
- 317.12949
Overview
See also: Phentolamine Hydrochloride (preferred); Phentolamine (has active moiety).
Names & identifiers
- Preferred name
- CID 657359
- IUPAC
- 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol;hydron;chloride
- English name
- Phentolamine hydrochloride
- Molecular formula
- C17H20ClN3O
- Molecular weight
- 317.81
Names & synonyms
CID 657359c-7337phentolaminechlorideRegitine hydrochloridePHENTOLAMINE HYDROCHLORIDEPhentolamine Hydrochloride (300 mg)Phentolamine hydrochloride USP/EP/BPPhentolamine Hydrochloride (1529005)Phentolamine hydrochloride, Non-selective alpha antagonist2-[N-(M-HYDROXYPHENYL)-P-TOLUIDINOMETHYL]IMIDAZOLINE HYDROCHLORIDEm-(n-(2-imidazolin-2-ylmethyl)-p-toluidino)-phenomonohydrochloride
Database identifiers
- CAS
73-05-2- PubChem CID
- 657359
Properties
Computed structural properties
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Melting point
- 230 · >230 (dec.)°C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- 10 mg/mL, · methanol: 10 mg/mL, clear, colorless
- form
- powder
- color
- white to off-white
- Merck
- 13 · 13,7348
- BRN
- 3764617 · 3764617
- InChI
- 1S/C17H19N3O.ClH/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H
- InChIKey
- TUEJFGFQYKDAPM-UHFFFAOYSA-N
- SMILES
- Cl[H].Cc1ccc(cc1)N(CC2=NCCN2)c3cccc(O)c3
- CAS DataBase Reference
- 73 · 73-05-2
- FDA UNII
- 86 DRW83R1H · 86DRW83R1H
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
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
- F
- 3-10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- SL0701000
- ridadr
- 3249
- Toxicity
- LD50 in rats (mg/kg): 75 i.v.; 275 s.c.; 1250 orally (Meier)
- risk_code
- 22-34
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,C
- safety_code
- 22-24/25-45-36/37/39-27-26
- hazard_class
- 6.1(b)
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
UsesPhentolamine Hydrochloride ia an adrenergic blocking agent. An antihypertensive. Used for the treatment of pheochromocytoma.
Usesanesthetic (local); inhibitor of DRG IA/Kv4.2 current
UsesPhentolamine hydrochloride is an adrenergic blocking agent. An antihypertensive. Used for the treatment of pheochromocytoma.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers52 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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