基本情報
- 標準SMILES
CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1- InChIKey
JRWZLRBJNMZMFE-UHFFFAOYSA-N- 分子式
- C18H23NO3
- 平均分子量
- 301.4 g/mol
- 単同位体質量
- 301.1677936
名称と識別子
- 優先名称
- Dobutamine
- IUPAC
- 4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol
- 現地名
- ドブタミン
- 英語名
- Dobutamine
- 分子式
- C18H23NO3
- 分子量
- 301.38
名称と別名
名称をさらに表示
データベース識別子
- CAS
34368-04-2- PubChem CID
- 36811
- DTXSID
DTXSID3022958- ChEMBL
CHEMBL926- ChEBI
CHEBI:4670- UNII
- 3S12J47372
- EC Number
- 112-679-1
- Nikkaji
- J29.869G、J399.069I
物性
構造計算による物性
- XLogP
- 3.4
- 極性表面積
- 72.7 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 4
- 回転可能結合数
- 7
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 305
物理化学的性質
- 沸点
- 527.7 · 527.7±50.0 °C(Predicted)
- 比重(密度)
- 1.189 · 1.189±0.06 g/cm3(Predicted)
- 貯蔵温度
- 2 · 2-8°C
- 酸解離定数(Pka)
- 9.65 · 9.65±0.10(Predicted)
安全と法規制
安全データ
- wgk
- 3
- risk_code
- 20/21/22-63
- hazard_code
- Xn
- safety_code
- 22-26-36/37/39
化学と産業
応用分野
使用Dobutamine is predominantly a β1-agonist, with some activity at β2- receptors. Its primary effect is an increase in cardiac output as a consequence of increased contractility and HR and decreased afterload. Systolic arterial pressure may therefore increase, but peripheral resistance is reduced or unchanged. It is primarily used as an inotrope (inodilator) in low CO states. D obutamine increases SA node automaticity and conduction velocity in the atria, ventricles and AV node, with tachyarrhythmias occurring at higher doses. Dobutamine is administered as an i.v. infusion at a dose range of 0.5– 40 μg kg–1 min–1.
上流・下流製品情報
上流原料
サプライヤー30 社
補足説明
定義ChEBI: A catecholamine that is 4-(3-aminobutyl)phenol in which one of the hydrogens attached to the nitrogen is substituted by a 2-(3,4-dihydroxyphenyl)ethyl group. A beta1-adrenergic receptor agonist that has cardiac stimulan action without evoking vasoconstriction or tachycardia, it is used as the hydrochloride to increase the contractility of the heart in the management of acute heart failure.
関連反応
関連ノート
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