Pharmakon1600-01503212

Base Information

• Chemical Name: Pharmakon1600-01503212
• CAS No.: 49745-95-1
• Molecular Formula: C₁₈H₂₃NO₃*ClH
• Molecular Weight: 337.846
• Hs Code.: 29222990
• NSC Number: 758404
• ChEMBL ID: CHEMBL1437504
• Mol file: 49745-95-1.mol

Synonyms:SPECTRUM1503212;CHEMBL1437504;HMS1922I13;Pharmakon1600-01503212;CCG-39313;NSC758404;NSC-758404;NCGC00095018-01;NCGC00095018-02

Chemical Property of Pharmakon1600-01503212

Chemical Property:

• Vapor Pressure: 0.00617mmHg at 25°C
• Melting Point: 184-186 °C(lit.)
• Boiling Point: 527.7 °C at 760 mmHg
• PKA: 9.45(at 25℃)
• Flash Point: 169.8 °C
• PSA: 72.72000
• LogP: 4.14970
• Storage Temp.: 2-8°C
• Solubility.: Sparingly soluble in water, soluble in methanol, sparingly soluble in ethanol (96 per cent).
• Water Solubility.: Soluble in water or ethanol with warming. Also soluble in methanol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 337.1444713
• Heavy Atom Count: 23
• Complexity: 313

Purity/Quality:

99%, ^*data from raw suppliers

Dobutamine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-63-36/37/38-R63-R62-R11-R21-R20
• Safety Statements: 22-26-36/37/39-36/37-S53-S39-S37-S36-S26-S22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CC1=CC(=CC=C1)O)CNCCC2=CC(=C(C=C2)O)O.Cl
• Description: Dobutamine hydrochloride, a dopamine derivative, is a selective β1-adrenergic agonist. It is a sympathomimetic agent with inotropic action (changes strength of muscle contraction) on the heart. However, it may have some α and β2-agonist properties as well.The active substance strengthens the contraction power of the heart, increases the stroke volume and thus the blood circulation of the organs. It is used for the treatment of acute heart failure and for cardiac stress tests.
• Uses: Dobutamine Hydrochloride is a sympathomimetic drug used to treat heart failure by inhibiting β1 receptors in the sympathetic nervous system. Cardiotonic. Dobutamine hydrochloride is a catecholamine that acts as a β-adrenergic receptor agonist with potent positive inotropic effects in vivo. It has its strongest effects on β1 receptors, with lesser but significant β2 receptor activation and only weak α1 receptor actions. As a result, it strongly increases cardiac contractility with modest chronotropic, arrhythmogenic, and vascular side effects. It is also a polyphenolic antioxidant and can inhibit all human carbonic anhydrase isoforms with Ki values near 1 ?M.

Technology Process of Pharmakon1600-01503212

There total 2 articles about Pharmakon1600-01503212 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 68.92%

N-[1-methyl-3-(4-methoxyphenyl)propyl]-2-(3,4-dimethoxyphenyl)ethylamine hydrochloride (51062-14-7) → dobutamine hydrochloride (49745-95-1,51062-26-1,51062-28-3,52663-81-7)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at 10 - 20 ℃; for 2h;

Reference yield:

→ dobutamine hydrochloride (49745-95-1,51062-26-1,51062-28-3,52663-81-7)

Guidance literature:

upstream raw materials:

N-[1-methyl-3-(4-methoxyphenyl)propyl]-2-(3,4-dimethoxyphenyl)ethylamine hydrochloride