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

• ChemBase编号: 549
• 分子式: C5H15N3O8P2
• 平均质量: 307.135422
• 单一同位素质量: 307.03343772
• SMILES: P(=O)(O)(O)O.P(=O)(O)(O)O.[nH]1c(CCN)cnc1
• Canonical SMILES: OP(=O)(O)O.OP(=O)(O)O.NCCc1[nH]cnc1
• 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)
• InChIKey: ZHIBQGJKHVBLJJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(1H-imidazol-5-yl)ethan-1-amine; bis(phosphoric acid); 2-(1H-imidazol-4-yl)ethan-1-amine; bis(phosphoric acid)
• IUPAC传统名: 1H-imidazole-5-ethanamine; bis(phosphoric acid); histamine; bis(phosphoric acid)
• 商标名: Histamine; Histamine biphosphate; Histamine dihydrogen phosphate; Histamine diphosphate
• 别名: Histamine Phosphate; 2-(4-Imidazolyl) ethylamine diphosphate; Histamine acid phosphate; HAP; HDP; HISTAMINE DIPHOSPHATE MONOHYDRATE

登记号

• CAS号: 51-74-1
• EC号: 200-118-4
• PubChem SID: 46509118; 160964012
• PubChem CID: 65513

理论计算性质

• Acid pKa: 14.456615
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -4.3165584
• LogD (pH = 7.4): -2.8456826
• Log P: -0.7009711
• 摩尔折射率: 31.6634 cm^3
• 极化性: 12.272421 Å^3
• 极化表面积: 54.7 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): -3.541

安全信息

• 保存条件: 0°C, Desiccate
• RTECS编号: NI5425000

药理学性质

• 作用靶点: Others

产品相关信息

• 成盐信息: Phosphate

详细说明

MP Biomedicals - 02100343

Crystalline

DrugBank - DB00667

• Drug Groups: approved
• Description: Histamine 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.
• Indication: Histamine phosphate is indicated as a diagnostic aid for evaluation of gastric acid secretory function.
• Pharmacology: Histamine 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.
• Toxicity: LD₅₀=807 mg/kg (mouse, oral). Side effects can lead to hypertension, hypotension, headache, dizziness, nervousness and tachycardia. Large overdoses can lead to seizures.
• Affected Organisms: Humans and other mammals
• Biotransformation: Primarily hepatic. Histamine is rapidly metabolized by methylation and oxidation. Methylation involves ring methylation and catalyzation by the enzyme histamine-N-methyltransferase, producing N-methylhistamine, which is mostly converted to N-methyl imidazole acetic acid. 2 to 3% excreted as free histamine, 4 to 8% as N-methylhistamine, 42 to 47% as N-methyl imidazole acetic acid, 9 to 11% as imidazole acetic acid, and 16 to 23% as imidazole acetic acid riboside
• Absorption: Readily absorbed after parenteral administration
• External Links: Drugs.com