Histamine phosphateProduct ingredient for Histamine

Name
Histamine phosphate
Drug Entry
Histamine

A depressor amine derived by enzymatic decarboxylation of histidine. It is a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and also a centrally acting neurotransmitter.

Accession Number
DBSALT002194
Structure
Thumb
Synonyms
4-(2-Aminoethyl)imidazole bis(dihydrogen phosphate) / 4-(2-Aminoethyl)imidazole di-acid phosphate / Histamine acid phosphate / Histamine biphosphate / Histamine dihydrogen phosphate / Histamine diphosphate / Histamine phosphate (1:2)
UNII
QWB37T4WZZ
CAS Number
51-74-1
Weight
Average: 307.1354
Monoisotopic: 307.033437495
Chemical Formula
C5H15N3O8P2
InChI Key
ZHIBQGJKHVBLJJ-UHFFFAOYSA-N
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)
IUPAC Name
2-(1H-imidazol-5-yl)ethan-1-amine; bis(phosphoric acid)
SMILES
OP(O)(O)=O.OP(O)(O)=O.NCCC1=CN=CN1
External Links
Human Metabolome Database
HMDB0014805
KEGG Drug
D04445
ChemSpider
58959
ChEBI
51193
ChEMBL
CHEMBL3989520
Wikipedia
Histamine
Predicted Properties
PropertyValueSource
logP-1ChemAxon
pKa (Strongest Acidic)13.5ChemAxon
pKa (Strongest Basic)9.79ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area54.7 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity32.23 m3·mol-1ChemAxon
Polarizability11.98 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon