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5985-28-4

Basic Information
CAS No.: 5985-28-4
Name: Synephrine hydrochloride
Article Data: 2
Molecular Structure:
Molecular Structure of 5985-28-4 (Synephrine hydrochloride)
Formula: C9H13NO2.HCl
Molecular Weight: 203.669
Synonyms: Benzenemethanol,4-hydroxy-a-[(methylamino)methyl]-, hydrochloride(9CI);Benzyl alcohol, p-hydroxy-a-[(methylamino)methyl]-,hydrochloride (8CI);Oxedrine hydrochloride;
EINECS: 227-804-6
Melting Point: 147-150oC
Boiling Point: 341.1 °C at 760 mmHg
Flash Point: 163.4 °C
Appearance: white powder
PSA: 52.49000
LogP: 1.83790
Synthetic route
5985-28-4

(+/-)-Synephrine hydrochloride

75-36-5

acetyl chloride

14593-25-0

2-(4-acetoxyphenyl)-2-chloro-N-methylethylammonium chloride

Conditions
ConditionsYield
In acetic acid at 10 - 30℃; for 12h;83.6%
7647-01-0

hydrogenchloride

5985-28-4

(+/-)-Synephrine hydrochloride

64-19-7

acetic acid

75-36-5

acetyl chloride

4-acetoxy-1-<1-chloro-2-methylamino-ethyl>-benzene hydrochloride

4-acetoxy-1-<1-chloro-2-methylamino-ethyl>-benzene hydrochloride

cucurbit[6]uril decahydrate

5985-28-4

(+/-)-Synephrine hydrochloride

C36H36N24O12*2C9H13NO2*14H2O*2Cl(1-)*2H(1+)

Conditions
ConditionsYield
Stage #1: cucurbit[6]uril decahydrate With magnesium(II) chloride hexahydrate; water Heating;
Stage #2: (+/-)-Synephrine hydrochloride for 48h;
Downstream Products
14593-25-0
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Chemistry

Product Name:Synephrine hydrochloride (CAS NO.5985-28-4)

Molecular Formula: C9H14ClNO2
Molecular Weight: 203.67g/mol
Mol File: 5985-28-4.mol
EINECS: 227-804-6
Boiling point: 341.1 °C at 760 mmHg
Flash Point: 163.4 °C
Enthalpy of Vaporization: 61.71 kJ/mol
Vapour Pressure: 3.18E-05 mmHg at 25°C
H-Bond Donor: 3
H-Bond Acceptor: 3
Structure Descriptors of ynephrine hydrochloride (CAS NO.5985-28-4):
  IUPAC Name: [2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methylazanium chloride
  Canonical SMILES: C[NH2+]CC(C1=CC=C(C=C1)O)O.[Cl-]
  InChI: InChI=1S/C9H13NO2.ClH/c1-10-6-9(12)7-2-4-8(11)5-3-7;/h2-5,9-12H,6H2,1H3;1H 
  InChIKey: COTCEGYSNTWJQV-UHFFFAOYSA-N
Classification Code: Drug / Therapeutic Agent

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo subcutaneous 500mg/kg (500mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 124, Pg. 231, 1927.
mouse LDLo subcutaneous 400mg/kg (400mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 124, Pg. 231, 1927.
rat LDLo subcutaneous 320mg/kg (320mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 71, Pg. 62, 1941.
 

Specification

 Synephrine hydrochloride , its CAS NO. is 5985-28-4, the synonyms are Benzenemethanol, 4-hydroxy-alpha-((methylamino)methyl)-, hydrochloride ; Synephrine HCl ; l-1-p-Hydroxyphenyl-2-methylamino-1-ethanol hydrochloride ; p-Hydroxy-alpha-(methylaminomethyl)benzyl alcohol hydrochloride ; p-Methylaminoaethanolphenol hydrochlorid ; 4-Hydroxy-alpha-((methylamino)methyl)benzyl alcohol hydrochloride ; Benzyl alcohol, p-hydroxy-alpha-((methylamino)methyl)-, hydrochloride .