基本情報
- CAS
17440-83-4- 標準SMILES
Cl.NC(N)=NC(=O)c1nc(Cl)c(N)nc1N.O.O- InChIKey
LTKVFMLMEYCWMK-UHFFFAOYSA-N- 分子式
- C6H13Cl2N7O3
- 平均分子量
- 302.12 g/mol
- 単同位体質量
- 301.0456927
概要
Amiloride hydrochloride appears as crystalline solid or very light yellow powder. (NTP, 1992)
名称と識別子
- 優先名称
- Amiloride Hydrochloride
- IUPAC
- 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;dihydrate;hydrochloride
- 現地名
- 塩酸アミロライド
- 英語名
- Amiloride hydrochloride dihydrate
- 分子式
- C6H8ClN7O.HCl.2H2O
- 分子量
- 302.12
名称と別名
Amiloride hydrochloride dihydrate17440-83-4ModamideAmiloride HCLAmilorid hydrochlorid-2-wasserAMIPRAMIDINEAmilamontAmorideBerkamilAmilospare 5FZJ37245UCAmiloride hydrochloride dehydrate
名称をさらに表示
3,5-ジアミノ-6-クロロ-N-(アミノイミノメチル)ピラジン-2-カルボアミド·塩酸塩·2水和物アミロリド塩酸塩水和物アミロリド塩酸塩二水和物塩酸アミロライドAMiloridaAMILORIDE HCL DIHYDRATEAmiloride hydrochloridAMiloride hydrocholrideAMILORIDEHYDROCHLORIDE,USPMK-870 hydrochloride dihydrateAMILORIDE HYDROCHLORIDE (500 MG)Miloride hydrochloride dihydrateAmiloride HCl dihydrate (MK 870)
NSC-755847CHEBI:2640DTXSID80169826Pyrazinecarboxamide, N-amidino-3,5-diamino-6-chloro-, monohydrochlorideDTXCID504452CHEBI:84743Hydrochloride, AmilorideRefChem:557170
データベース識別子
物性
構造計算による物性
- 極性表面積
- 161 Ų
- 水素結合供与体数
- 7
- 水素結合受容体数
- 7
- 回転可能結合数
- 1
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 279
実験および物理化学的性質
Solubilityless than 1 mg/mL at 67.1 °F (NTP, 1992)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Melting Point560.3 °F (NTP, 1992)
Physical DescriptionAmiloride hydrochloride appears as crystalline solid or very light yellow powder. (NTP, 1992)
物理化学的性質
- 融点
- 240 ℃ · >240℃
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- 水および無水エタノールにわずかに溶ける。
- 酸解離定数(Pka)
- 8.7 · 8.7(at 25℃)
- 外見
- Solid
- 色
- Off-white to yellow
- 水溶解度
- 50 mg/mlで水に溶ける · 50mg/mlで水に溶ける
- 主な用途
- 医薬品
- InChI
- InChI=1S/C6H8ClN7O.ClH.2H2O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;;;/h(H4,8,9,13)(H4,10,11,14,15);1H;2*1H2
- InChIKey
- LTKVFMLMEYCWMK-UHFFFAOYSA-N
- SMILES
- C1(C(NC(N)=N)=O)=NC(Cl)=C(N)N=C1N.[H]Cl.[H]O[H].[H]O[H]
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H300 (90.2%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Amiloride hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Amiloride hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelPoison
Fire HazardsFlash point data for this material are not available; however, it is probably combustible. (NTP, 1992)
Health Hazards
SYMPTOMS: Symptoms of exposure to this compound include headache, weakness, fatigue, back, chest, neck, shoulder or extremity pain; nausea, anorexia, vomiting, abdominal pain, hyperkalemia, paresthesias, shock, dizziness, coughing, shortness of breath, depression, nervousness, flaccid paralysis of the extremities, bradycardia, flatulence, skin rash, gas pain, constipation and dyspnea. (NTP, 1992)
Reactive GroupAmides and Imides
Reactivity Profile
A halide- and amine-substituted aromatic compound, with amide and acidic salt components. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).
化学と産業
薬理情報
FDA Pharmacological Classification
AMILORIDE HYDROCHLORIDE
Decreased Renal K+ Excretion [PE]; Potassium-sparing Diuretic [EPC]; Increased Diuresis [PE]
MeSH Pharmacological Classification
Agents that promote the excretion of urine through their effects on kidney function.
A subclass of sodium channel blockers that are specific for ACID-SENSING SODIUM CHANNELS.
A subclass of sodium channel blockers that are specific for EPITHELIAL SODIUM CHANNELS.
応用分野
使用Amiloride hydrochloride dihydrate is used as a calcium channel and sodium channel protein inhibitor. It reduces electrical potential across tubular epithelium, inhibits angiogenesis and inhibits capillary morphogenesis completely and reversibly at approximately 130 M. Amiloride HCl is an inhibitor of Sodium/Potassium-ATPase Protein. Defines the I2A-amiloride sensitive and I2B-amiloride insensitive imidazoline binding Blocks TRPP3, acid sensing- (ASIC) and mechanogated membrane-ion channels, as well as the Na+/H+ exchanger. Also inhibits urokinase-type plasminogen activator (uPA); has no effect on tissue-type plasminogen activator.
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