Basic information
- CAS
4779-94-6- Standard SMILES
[Cl-].[NH3+]CC(O)c1cccc(O)c1- InChIKey
OWMFSWZUAWKDRR-UHFFFAOYSA-N- Molecular formula
- C8H12ClNO2
- Average molar mass
- 189.64 g/mol
- Monoisotopic mass
- 189.0556563
Overview
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Names & identifiers
- Preferred name
- BENZYL ALCOHOL, alpha-AMINOMETHYL-3-HYDROXY-, HYDROCHLORIDE
- IUPAC
- [2-hydroxy-2-(3-hydroxyphenyl)ethyl]azanium chloride
- English name
- DL-Norphenylephrine hydrochloride
- Molecular formula
- C8H11NO2.ClH
- Molecular weight
- 189.64
Names & synonyms
Molycor-R hydrochloride[2-hydroxy-2-(3-hydroxyphenyl)ethyl]azanium;chloridem-Octopamine hydrochlorideUNII-1FCN9TAU6RNorphenephrine hydrochlorideWIN 5501EINECS 225-323-6NSC 100733NSC 297582alpha-Aminomethyl-3-hydroxybenzyl alcohol hydrochlorideBenzenemethanol, alpha-(aminomethyl)-3-hydroxy-, hydrochlorideBENZYL ALCOHOL, alpha-AMINOMETHYL-3-HYDROXY-, HYDROCHLORIDE
Show more names
Phenylephrine Impurity Arac-Phenylephrine EP Impurity A HClWV 569CoritatVingsalEnergonaEsbuphonStaguralTonoliftMolycor R
AKOS015907963
Database identifiers
- CAS
4779-94-6
Properties
Computed structural properties
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Melting point
- 162 · 162-164 °C(lit.)
- storage temp.
- -20 °C · -20°C Freezer, Under Inert Atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- White to Off-White
- Merck
- 14 · 14,6699
- InChI
- 1S/C8H11NO2.ClH/c9-5-8(11)6-2-1-3-7(10)4-6;/h1-4,8,10-11H,5,9H2;1H
- InChIKey
- OWMFSWZUAWKDRR-UHFFFAOYSA-N
- SMILES
- Cl.NCC(O)c1cccc(O)c1
- FDA UNII
- 1 FCN9TAU6R · 1FCN9TAU6R
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 301 · P301+P312+P330
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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, Faceshields, Gloves
- wgk
- 3
- rtecs
- DN7400000
- hs_code
- 2922504500
- Toxicity
- LD50 oral in rat: 390mg/kg
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Applications
Usesrac Norphenylephrine Hydrochloride is an Impurity A of phenylephrine. A phenylephrine derivative as leukotriene D4 antagonists.
Preparation methods
Preparation100 parts of m-hydroxy-ω-aminoacetophenone hydrochloride (the addition product in acid solution of brominated m-acetoxyacetophenone, obtained by reacting bromoacetophenone with sodium iodide, followed by the addition of hexamethylenetetramine in a neutral solvent) with hydrogen gas in an aqueous solution in the presence of 2 parts palladium catalyst were shaken until hydrogen gas in a 2 atomic ratio was absorbed. The catalyst was then filtered and the filtrate was evaporated under vacuum. The completely dried residue was dissolved in anhydrous ethanol, and anhydrous diethyl ether was added to produce a precipitate. The resulting DL-NORPHENYLEPHRINE HYDROCHLORIDE forms white crystals with a melting point of 159°C to 160°C.
Upstream & downstream products
Upstream raw materials
Suppliers64 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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