Betahistine dihydrochloride - CAS 5579-84-0

Catalog:	BB029179
Product Name:	Betahistine dihydrochloride
CAS:	5579-84-0
Synonyms:	N-methyl-2-pyridin-2-ylethanamine;dihydrochloride

Technical Data

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Computed Properties

Related CAS:	5638-76-6 54856-23-4 (mesylate)
IUPAC Name:	N-methyl-2-pyridin-2-ylethanamine;dihydrochloride
Description:	Betahistine is a histamine H3 receptors inhibitor with IC50 of 1.9 μM.
Molecular Weight:	209.12
Molecular Formula:	C8H12N2 · 2HCl
Canonical SMILES:	CNCCC1=CC=CC=N1.Cl.Cl
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
InChI Key:	XVDFMHARQUBJRE-UHFFFAOYSA-N
Boiling Point:	210.9 ℃ at 760 mmHg
Purity:	> 98 %
Density:	0.967 g/cm³
LogP:	2.83840

Publication Number	Title	Priority Date
US-10973908-B1	Expression of SARS-CoV-2 spike protein receptor binding domain in attenuated salmonella as a vaccine	20200514
US-10940088-B1	Method of preparing low dose pharmaceutical formulations	20200109
WO-2021101836-A1	Antimalarial agents	20191119
WO-2021085999-A1	L-methionine producing microorganism to which protein encoded by foreign metz gene is introduced and method for producing l-methionine using same	20191028
WO-2021072289-A1	Methods and systems using peptides for targeting and mapping human nerves in image guided surgery, diagnostics and therapeutic delivery	20191010

PMID	Publication Date	Title	Journal
22624822	20121001	Histamine H4 receptor antagonists as potent modulators of mammalian vestibular primary neuron excitability	British journal of pharmacology
21770719	20120901	Development of novel sustained release matrix pellets of betahistine dihydrochloride: effect of lipophilic surfactants and co-surfactants	Pharmaceutical development and technology
22695490	20120901	Reducing olanzapine-induced weight gain side effect by using betahistine: a study in the rat model	Journal of psychopharmacology (Oxford, England)
22487127	20120601	Involvement of histamine receptors in SAPK/JNK phosphorylation	International immunopharmacology
22506537	20120601	Comparison of the therapeutic efficacy of a fixed low-dose combination of cinnarizine and dimenhydrinate with betahistine in vestibular neuritis: a randomized, double-blind, non-inferiority study	Clinical drug investigation

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GHS Hazard Statement:	H315 (98.04%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	83.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.0534038
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	208.0534038
Rotatable Bond Count:	3
Topological Polar Surface Area:	24.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0