BETAHISTINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC N07CA01
UNII X32KK4201D
EPA CompTox DTXSID3022665

Structure

InChI Key UUQMNUMQCIQDMZ-UHFFFAOYSA-N
Smiles CNCCc1ccccn1
InChI
InChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H12N2
Molecular Weight 136.2
AlogP 0.84
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 24.92
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 10.0

Pharmacology

Mechanism of Action Action Reference
Histamine H1 receptor agonist AGONIST PubMed PubMed PubMed PubMed PubMed PubMed

Target Conservation

Protein: Histamine H1 receptor
Description: Histamine H1 receptor
Organism : Homo sapiens
P35367 ENSG00000196639
Protein: Histamine H3 receptor
Description: Histamine H3 receptor
Organism : Homo sapiens
Q9Y5N1 ENSG00000101180

Cross References

Resources Reference
ChEBI 35677
ChEMBL CHEMBL24441
DrugBank DB06698
DrugCentral 346
FDA SRS X32KK4201D
Human Metabolome Database HMDB0015644
PharmGKB PA165958372
PubChem 2366
SureChEMBL SCHEMBL125582
ZINC ZINC000001675415
CONTENTS