betahistine   Click here for help

GtoPdb Ligand ID: 11937

Synonyms: OBE101 [2] | SERC® | Vasomotal®
Approved drug
betahistine is an approved drug (FDA (1970s))
Compound class: Synthetic organic
Comment: This is an orally delivered histamine receptor modulator that has weak agonist activity at histamine H1 receptors and more potent antagonist activity at the H3 receptor subtype [1].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 24.92
Molecular weight 136.1
XLogP 0.53
No. Lipinski's rules broken 0
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Canonical SMILES CNCCc1ccccn1
Isomeric SMILES CNCCc1ccccn1
InChI InChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1970s))
Withdrawn drug? Yes
International Nonproprietary Names Click here for help
INN number INN
1502 betahistine
Synonyms Click here for help
OBE101 [2] | SERC® | Vasomotal®
Database Links Click here for help
CAS Registry No. 5638-76-6 (source: PubChem)
ChEMBL Ligand CHEMBL24441
DrugBank Ligand DB06698
GtoPdb PubChem SID 461663492
PubChem CID 2366
Search Google for chemical match using the InChIKey UUQMNUMQCIQDMZ-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey UUQMNUMQCIQDMZ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey UUQMNUMQCIQDMZ-UHFFFAOYSA-N