Trade Names:
Synonyms:
Status: Approved (1939)
Entry Type: Small molecule
Molecule Category: Salt
ATC: V04CG03
UNII: QWB37T4WZZ
Parent Compound: HISTAMINE

Structure

InChI Key ZHIBQGJKHVBLJJ-UHFFFAOYSA-N
Smile NCCc1c[nH]cn1.O=P(O)(O)O.O=P(O)(O)O
InChI
InChI=1S/C5H9N3.2H3O4P/c6-2-1-5-3-7-4-8-5;2*1-5(2,3)4/h3-4H,1-2,6H2,(H,7,8);2*(H3,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H15N3O8P2
Molecular Weight 307.14
AlogP -0.09
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 54.7
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 8.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Histamine H1 receptor agonist DailyMed

Related Entries

Parent

Cross References

Resources Reference
ChEBI 51193
ChEMBL CHEMBL3989520
DrugBank DB00667
EPA CompTox DTXSID7058759
FDA SRS QWB37T4WZZ
Guide to Pharmacology 1247
KEGG C00388
PDB HSM
PubChem 65513
SureChEMBL SCHEMBL123245
ZINC ZINC18217584