ChemFOnt: Showing chemical card for Histamine Phosphate (CFc000009145)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:56:11 UTC

Chemfont ID

CFc000009145

Molecule Identification

Common Name

Histamine Phosphate

Definition

Histamine Phosphate is only found in individuals that have used or taken this drug. It stimulates gastric gland secretion, causing an increased secretion of gastric juice of high acidity. This action is probably due mainly to a direct action on parietal and chief gland cells.Histamine acts directly on the blood vessels to dilate arteries and capillaries; this action is mediated by both H 1- and H 2-receptors. Capillary dilatation may produce flushing of the face, a decrease in systemic blood pressure, and gastric gland secretion, causing an increased secretion of gastric juice of high acidity. Increased capillary permeability accompanies capillary dilatation, producing an outward passage of plasma protein and fluid into the extracellular spaces, an increase in lymph flow and protein content, and the formation of edema. In addition, histamine has a direct stimulant action on smooth muscle, producing contraction if H 1-receptors are activated, or mostly relaxation if H 2-receptors are activated. Also in humans, the stimulant effect of histamine may cause contraction of the intestinal muscle. However, little effect is noticed on the uterus, bladder, or gallbladder. Histamine has some stimulant effect on duodenal, salivary, pancreatic, bronchial, and lacrimal glands. Histamine also can bind to H3 and H4 receptors which are involved in the CNS/PNS neurotransmitter release and immune system chemotaxis, respectively.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
4-(2-Aminoethyl)imidazole bis(dihydrogen phosphate)	ChEBI
4-(2-Aminoethyl)imidazole di-acid phosphate	ChEBI
Histamine acid phosphate	ChEBI
Histamine biphosphate	ChEBI
Histamine dihydrogen phosphate	ChEBI
Histamine diphosphate	ChEBI
Histamine phosphate (1:2)	ChEBI
4-(2-Aminoethyl)imidazole bis(dihydrogen phosphoric acid)	Generator
4-(2-Aminoethyl)imidazole di-acid phosphoric acid	Generator
Histamine acid phosphoric acid	Generator
Histamine biphosphoric acid	Generator
Histamine dihydrogen phosphoric acid	Generator
Histamine diphosphoric acid	Generator
Histamine phosphoric acid (1:2)	Generator
Histamine phosphoric acid	Generator
Histamine phosphate	MeSH

Chemical Formula

C₅H₁₅N₃O₈P₂

Average Molecular Weight

307.1354

Monoisotopic Molecular Weight

307.033437495

IUPAC Name

2-(1H-imidazol-5-yl)ethan-1-amine; bis(phosphoric acid)

Traditional Name

1H-imidazole-5-ethanamine; bis(phosphoric acid)

CAS Registry Number

51-74-1

SMILES

OP(O)(O)=O.OP(O)(O)=O.NCCC1=CN=CN1

InChI Identifier

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)

InChI Key

ZHIBQGJKHVBLJJ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2-arylethylamines. These are primary amines that have the general formula RCCNH2, where R is an organic group.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Amines

Direct Parent

2-arylethylamines

Alternative Parents

Substituents

2-arylethylamine
Aralkylamine
Organic phosphoric acid derivative
Heteroaromatic compound
Imidazole
Azole
Azacycle
Organoheterocyclic compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary aliphatic amine
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

phosphate salt (CHEBI:51193 )

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 21059682)

Excreta

Biofluid or Excreta

Urine (PMID: 21059682)

Cellular substructure

Cytoplasm (HMDB: HMDB0014805)
Membrane (HMDB: HMDB0014805)

Source

Exogenous

Exogenous (HMDB: HMDB0014805)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
logP	-1	ChemAxon
pKa (Strongest Acidic)	13.5	ChemAxon
pKa (Strongest Basic)	9.79	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	54.7 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	32.23 m³·mol⁻¹	ChemAxon
Polarizability	11.98 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0014805

DrugBank ID

DBSALT002194

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Histamine

METLIN ID

Not Available

PubChem Compound

65513

PDB ID

Not Available

ChEBI ID

51193

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Histamine Phosphate (CFc000009145)

MOL for CFc000009145 (Histamine Phosphate)

3D MOL for CFc000009145 (Histamine Phosphate)

3D SDF for CFc000009145 (Histamine Phosphate)

3D-SDF for CFc000009145 (Histamine Phosphate)

PDB for CFc000009145 (Histamine Phosphate)

3D PDB for CFc000009145 (Histamine Phosphate)

SMILES for CFc000009145 (Histamine Phosphate)

INCHI for CFc000009145 (Histamine Phosphate)

Structure for CFc000009145 (Histamine Phosphate)

3D Structure for CFc000009145 (Histamine Phosphate)