GRADE & PURITY ≥99%

Synonyms

Betahistine HCl | Antivom | N-methyl-2-pyridin-2-ylethanamine dihydrochloride | N-methyl-2-pyridin-2-yl-ethanamine dihydrochloride | SCHEMBL60646 | UNII-49K58SMZ7U | D03102 | BCP13779 | BETAHISTINE HYDROCHLORIDE [USP-RS] | BETAHISTINE HYDROCHLORIDE [VANDF

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Betahistine HCl | Antivom | N-methyl-2-pyridin-2-ylethanamine dihydrochloride | N-methyl-2-pyridin-2-yl-ethanamine dihydrochloride | SCHEMBL60646 | UNII-49K58SMZ7U | D03102 | BCP13779 | BETAHISTINE HYDROCHLORIDE [USP-RS] | BETAHISTINE HYDROCHLORIDE [VANDF

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Competitive partial H 1 receptor agonist (K i = 31 μM) and H 3 receptor antagonist. Histamine analog. Increases cochlear blood flow in vivo. Orally active.

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504754302
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754302
• Canonical Smiles: CNCCC1=CC=CC=N1.Cl.Cl
• IUPAC Name: N-methyl-2-pyridin-2-ylethanamine;dihydrochloride
• InChIKey: XVDFMHARQUBJRE-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2.2ClH/c1-9-7-5-8-4-2-3-6-10-8;;/h2-4,6,9H,5,7H2,1H3;2*1H
• Isomeric SMILES: CNCCC1=CC=CC=N1.Cl.Cl
• WGK Germany: 3
• PubChem CID: 68643
• Molecular Weight: 209.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture & Light sensitive.
• Melt Point(°C): 150-154°C
• Molecular Weight: 209.110 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 208.053 Da
• Monoisotopic Mass: 208.053 Da
• Topological Polar Surface Area: 24.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 83.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3