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Betahistine dihydrochloride

  • Name Betahistine dihydrochloride
  • EINECS226-966-5
  • CAS No. 5579-84-0
  • Density0.967 g/cm3
  • PSA24.92000
  • LogP2.83840
  • Solubilitysoluble in water
  • Melting Point150-154 °C
  • FormulaC8H12N2.2ClH
  • Boiling Point210.9 °C at 760 mmHg
  • Molecular Weight209.119
  • Flash Point96.7 °C
  • Transport InformationN/A
  • Appearancewhite to light yellow crystalline powder
  • Safety24/25
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 5579-84-0 (Betahistine dihydrochloride)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data2

Betahistine dihydrochloride Synthetic route

5638-76-6

betahistine

5579-84-0

[3H]-Betahistine dihydrochloride

Conditions
ConditionsYield
With hydrogenchloride In isopropyl alcohol pH=2;
With hydrogenchloride In water; isopropyl alcohol at 0 - 10℃; pH=2;
109-06-8

α-picoline

5579-84-0

[3H]-Betahistine dihydrochloride

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 20 h / 125 °C / 3040.2 Torr / Inert atmosphere
2: sodium hydroxide / 2 h / 95 - 100 °C
3: hydrogenchloride / water / 95 - 105 °C
4: hydrogenchloride / water; isopropyl alcohol / 0 - 10 °C / pH 2
View Scheme
103-74-2

2-(2-Hydroxyethyl)pyridine

5579-84-0

[3H]-Betahistine dihydrochloride

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium hydroxide / 2 h / 95 - 100 °C
2: hydrogenchloride / water / 95 - 105 °C
3: hydrogenchloride / water; isopropyl alcohol / 0 - 10 °C / pH 2
View Scheme
942-93-8

5-Chloro-1-phenyl-1-pentanone

5579-84-0

[3H]-Betahistine dihydrochloride

1032445-64-9

C19H24N2O

Conditions
ConditionsYield
With potassium carbonate In acetonitrile at 80℃;78%
With potassium carbonate In acetonitrile at 80℃;78%
100-69-6

2-vinylpyridine

5579-84-0

[3H]-Betahistine dihydrochloride

5452-87-9

N-methyl-2-(pyridin-2-yl)-N-(2-(pyridin-2-yl)ethyl)ethanamine

Conditions
ConditionsYield
With ammonium chloride In toluene at 85 - 86℃; for 60h;65%

Betahistine dihydrochloride Specification

The Betahistine dihydrochloride, with the CAS registry number 5579-84-0, is also known as 2-(2-(Methylamino)ethyl)pyridine dihydrochloride.  Its EINECS number is 226-966-5. This chemical's molecular formula is C8H12N2.2ClH and molecular weight is 209.12. What's more, its systematic name is N-Methyl-2-(2-pyridinyl)ethanamine dihydrochloride. Its classification code is Vasodilator. When using it, you must avoid contact with skin and eyes. This chemical is an antivertigo drug. It is a histamine analog and H1 receptor agonist that serves as a vasodilator. It is used in meniere disease and in vascular headaches but may exacerbate bronchial asthma and peptic ulcers. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, acids and moisture.

Physical properties of Betahistine dihydrochloride are: (1)ACD/LogP: 0.105; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.99; (4)ACD/LogD (pH 7.4): -2.39; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 16.13 Å2; (13)Flash Point: 96.7 °C; (14)Enthalpy of Vaporization: 44.72 kJ/mol; (15)Boiling Point: 210.9 °C at 760 mmHg; (16)Vapour Pressure: 0.187 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.n1ccccc1CCNC
(2)Std. InChI: InChI=1S/C8H12N2.2ClH/c1-9-7-5-8-4-2-3-6-10-8;;/h2-4,6,9H,5,7H2,1H3;2*1H
(3)Std. InChIKey: XVDFMHARQUBJRE-UHFFFAOYSA-N  

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