Basic information
- CAS
125251-66-3- Standard SMILES
Cl.Oc1ccc(CCCCNC[C@H](O)c2ccc(O)c(O)c2)cc1- InChIKey
ATBUNPBAFFCFKY-FERBBOLQSA-N- Molecular formula
- C18H24ClNO4
- Average molar mass
- 353.8 g/mol
- Monoisotopic mass
- 353.1393859
Overview
Arbutamine Hydrochloride is the hydrochloride salt form of arbutamine, a synthetic catecholamine with positive chronotropic and inotropic properties, used in echocardiography and diagnostic coronary angiography. Arbutamine binds to and activates beta-1 adrenergic receptors in the myocardium, thereby increasing heart rate and increasing force of myocardial contraction. By exerting a chronotropic and inotropic effect, arbutamine mimics the cardiac stress caused by exercise that may prevent adequate tissue perfusion and oxygenation, and may provoke myocardial ischemia in patients with coronary artery disease.
Names & identifiers
- Preferred name
- Arbutamine Hydrochloride
- IUPAC
- 4-[(1R)-1-hydroxy-2-[4-(4-hydroxyphenyl)butylamino]ethyl]benzene-1,2-diol;hydrochloride
- English name
- Arbutamine Hydrochloride
- Molecular formula
- C18H24ClNO4
- Molecular weight
- 353.84
Names & synonyms
Arbutamine hydrochlorideGenesaArbutamine HCl125251-66-3K0NF2CPJ7FGP-2-121-3DTXSID40154718RefChem:56704DTXCID2077209Arbutamine hydrochloride [USAN]ARBUTAMINE (Hydrochloride)4-[(1R)-1-hydroxy-2-[4-(4-hydroxyphenyl)butylamino]ethyl]benzene-1,2-diol;hydrochloride
Show more names
1,2-Benzenediol, 4-[(1R)-1-hydroxy-2-[[4-(4-hydroxyphenyl)butyl]amino]ethyl]-, hydrochloride (1:1) (ACI)
Arbutamine hydrochloride (USAN)UNII-K0NF2CPJ7FGenesa (TN)(R)-3,4-Dihydroxy-alpha-(((4-(p-hydroxyphenyl)butyl)amino)methyl)benzyl alcohol hydrochlorideSCHEMBL40757orb1698351CHEMBL1200385ARBUTAMINE HYDROCHLORIDE [MI]
Database identifiers
- CAS
125251-66-3- PubChem CID
- 166551
- DTXSID
DTXSID40154718- ChEMBL
CHEMBL1200385- UNII
- K0NF2CPJ7F
Properties
Computed structural properties
- Topological polar surface area
- 93 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 320
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physicochemical properties
- Melting point
- 55 · 55-58°
- alpha
- 23 · D23 -18.5° (in ethanol)
- FDA UNII
- 0 NF2CPJ7F · K0NF2CPJ7F
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that selectively bind to and activate beta-adrenergic receptors.
Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE).
Applications
UsesArbutamine hydrochloride is a short-acting, potent and nonselective β-adrenoceptor agonist. Arbutamine hydrochloride stimulates cardiac β1-, tracheal β2-, and adiopocyte β3- adrenergic receptors. Arbutamine hydrochloride provides cardiac stress increases heart rate, cardiac contractility, and systolic blood pressure. Arbutamine hydrochloride can be used for cardiac stress agent [1][2][3].
Upstream & downstream products
Upstream raw materials
Suppliers6 total
Chongqing jooe co., ltd+86-15223382610 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
药渡经纬信息科技(北京)有限公司+86-400-851-9921 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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