CAS 51022-70-9 Salbutamol Sulfate (HCID 9884233)

基本情報

CAS: 51022-70-9
標準SMILES: CC(C)(C)NCC(O)c1ccc(O)c(CO)c1.O=S(=O)(O)O
InChIKey: OVICLFZZVQVVFT-UHFFFAOYSA-N
分子式: C13H23NO7S
平均分子量: 337.39 g/mol

名称と識別子

優先名称: Salbutamol Sulfate
IUPAC: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;sulfuric acid
現地名: 硫酸サルブタモール
英語名: Albuterol sulfate
分子式: C13H23NO7S
分子量: 337.39

名称と別名

Salbutamol sulfateRefChem:1098298(1RS)-2-(1,1-Dimethylethyl)amino-1-(4-hydroxy-3-hydroxymethylphenyl)ethanol hemisulfate51022-70-939971-61-44-(2-(tert-Butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol sulfateAlbuterol sulfate(1:x);34245-12-04-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol; sulfuric acidSMR000058513Albuterol sulfate(1:x)alpha-([t-Butylamino]methyl)-4-hydroxy-m-xylene-alpha,alpha'-diol

名称をさらに表示

硫酸サルブタモールサルブタモールスルファートサルブタモールヘミスルファートアスタージスアイロミールサルブタモール硫酸塩ベネトリンレナピリンDSサルタノール2-(ヒドロキシメチル)-4-[1-ヒドロキシ-2-[(1,1-ジメチルエチル)アミノ]エチル]フェノール·0.5硫酸塩アルブテロール硫酸塩スルブタモールスルファートベナリールチボリンアルブテロールヘミスルファートサルブタモール 1/2硫酸塩SALBUTAMOL HEMISULFATEサルブタモールヘミ硫酸塩サルブタモール硫酸塩 (JP17)2-(ヒドロキシメチル)-4-[1-ヒドロキシ-2-[(1,1-ジメチルエチル)アミノ]エチル]フェノール・0.5硫酸塩SALBUTAMOL SULPHATEALBUTEROL SULPHATESULBUTAMOL SULFATEAlbuterol hemisulfateSALBUTAMOL HEMISULFATE(R,S)-Salbutamol Sulphate1-(4-hydroxy-3-hydroxymethylphenyl)-2-(tert-butylamino)ethanolsulfate

データベース識別子

CAS: 51022-70-9
PubChem CID: 9884233
ChEMBL: CHEMBL1201026
EC Number: 256-916-8

物性

構造計算による物性

極性表面積: 156 Å²
水素結合供与体数: 6
水素結合受容体数: 8
回転可能結合数: 5
重原子数: 22
形式電荷: 0
複雑度: 309

物理化学的性質

融点: 180 °C · 180 °C
闪点: 250 °C · 250 °C
貯蔵温度: 2 · 2-8°C
溶解性: 1 M · 1 M NaOH: 可溶 50 mg/ml、透明からわずかにかすんだ、黄緑色
外見: Solid
色: 白い
水溶解度: 1 M · 水および 1M 水酸化ナトリウム (50 mg/ml) に可溶。
Merck: 216 · 216
BCS Class: 1 · 1
主な用途: 臨床法医学と毒物学医薬品（低分子化合物）
InChI: InChI=1S/C13H21NO3.H2O4S/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;1-5(2,3)4/h4-6,12,14-17H,7-8H2,1-3H3;(H2,1,2,3,4)
InChIKey: OVICLFZZVQVVFT-UHFFFAOYSA-N
SMILES: CC(C)(NCC(O)C1C=CC(O)=C(CO)C=1)C.S(O)(O)(=O)=O
CAS データベース: 51022 · 51022-70-9(CAS DataBase Reference)

化学的性質

化学的特性Albuterol sulfate is a white or practically white powder, freely soluble in water and slightly soluble in ethanol.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (20.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P270, P272, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 110 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Other Safety InformationIMAP assessments - 1,3-Benzenedimethanol, .alpha.1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, sulfate (2:1) (salt): Environment tier I assessment

Hazard Classes and CategoriesAcute Tox. 4 (20.9%)

安全データ

wgk: 3
rtecs: ZE4400000
ridadr: 2811
hs_code: 29225090
risk_code: 43-22
hazard_code: Xn,Xi
safety_code: 36/37-36
Hazard Classifications: Carc. 2Repr. 2Skin Sens. 1
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 5 件

用途β2 受容体作用剤です。β2 受容体選択的に作用します。

説明Albuterol sulfate (Brand name: PROVENTIL® HFA) is the sulfate form of albuterol which is also known as salbutamol. It is a kind of short-acting, selective beta2-adrenergic receptor agonist being capable of opening up the medium and large airways in the lungs. It is mainly used for the treatment of bronchospasm (induced by bronchial asthma or exercise) as well as chronic obstructive pulmonary disease (COPD). Albuterol sulfate takes effects through directly biding to the beta (2)-adrenergic receptors in the lung and causing relaxation of bronchial smooth muscles. This relaxation is mediated by its effect of stimulating cAMP production through activating adenylate cyclase, further inhibiting the phosphorylation of myosin and lowering the intracellular calcium level. Albuterol sulfate can also be used to treat acute hyperkalemia of the blood.

使用Albuterol Sulfate belongs to a class of bronchodilator drugs called β2-adrenoceptor agonists. It is a prescription medicine used to treat symptoms of bronchospasm. Albuterol Sulfate may be used alone or with other medications.

一般的な説明Albuterol belongs to the class of medicines known as bronchodilators. It is also called a short-acting beta-agonist (SABA).