Roxatidine acetate hydrochloride

Base Information

• Chemical Name: Roxatidine acetate hydrochloride
• CAS No.: 93793-83-0
• Molecular Formula: C19H28N2O4^.ClH
• Molecular Weight: 384.903
• Mol file: 93793-83-0.mol

Synonyms:Altat (TN);Roxatidine acetate hydrochloride (JAN/USAN);Acetamide,2-(acetyloxy)-N-[3-[3-(1- piperidinylmethyl)phenoxy]propyl]-,monohydrochloride;Altat;Roxatidine aceacetate HCl;Acetamide,2-(acetyloxy)-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-monohydrochloride;Roxatidine Acetate HCl;

Chemical Property of Roxatidine acetate hydrochloride

Chemical Property:

• Vapor Pressure: 1.29E-11mmHg at 25°C
• Melting Point: 145-146°
• Boiling Point: 537.3 °C at 760 mmHg
• Flash Point: 278.7 °C
• PSA: 67.87000
• LogP: 3.25150
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 384.1815851
• Heavy Atom Count: 26
• Complexity: 410

Purity/Quality:

99% ^*data from raw suppliers

Roxatidine Acetate Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC(=O)[NH2+]CCCOC1=CC=CC(=C1)CN2CCCCC2.[Cl-]
• Description: Roxatidine acetate hydrochloride is an H2 antagonist, differing considerably in structure from other marketed agents(cimetidine, ranitidine and famotidine) in this category. It is useful in the treatment of gastric, duodenal and anastomotic ulcers, Zollinger-Ellison syndrome and peptic esophagitis. Roxatidine acetate is a competitive histamine H2 receptor antagonist that upon oral absorption is rapidly converted to its active metabolite roxatidine. By inhibiting the binding of histamine to H2 receptors, roxatidine reduces both intracellular cAMP concentrations and gastric acid secretion by parietal cells.
• Uses: A histamine H2-receptor antagonist. It is used to inhibit gastric acid secretion; an antiulcer agent.

Technology Process of Roxatidine acetate hydrochloride

There total 19 articles about Roxatidine acetate hydrochloride 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: 92.0%

N-<3-<3-(1-piperidinylmethyl)phenoxy>propyl>amine (73278-98-5) + Acetoxyacetyl chloride (13831-31-7) → Gastralgin (93793-83-0)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; Large scale;

Reference yield: 89.8%

acetic anhydride (108-24-7) + 2-hydroxy-N-[3-[3-(piperidinomethyl)phenoxy]propyl] acetamide (78273-80-0) → Gastralgin (93793-83-0)

Guidance literature:

acetic anhydride; 2-hydroxy-N-[3-[3-(piperidinomethyl)phenoxy]propyl] acetamide; With acetic acid; for 2h; Reflux;

With hydrogenchloride; In water; ethyl acetate; acetone; at 0 - 5 ℃;

Reference yield: 81.18%

piperidine (110-89-4) + (3-(3-bromomethylphenoxy)propylamino)-2-oxoethyl acetate → Gastralgin (93793-83-0)

Guidance literature:

piperidine; (3-(3-bromomethylphenoxy)propylamino)-2-oxoethyl acetate; In acetonitrile; for 8h; Reflux; Large scale;

With hydrogenchloride; In water; acetone; at -5 - 5 ℃; for 1h; pH=2 - 3; Solvent; Inert atmosphere; Large scale;

upstream raw materials:

potassium acetate

N-<3-<3-(1-piperidinylmethyl)phenoxy>propyl>chloroacetamide

piperidine

3-[1-piperidinylmethyl]phenol

Downstream raw materials:

C₁₉H₂₈N₂O₄*C₄₂H₇₀O₃₅

Refernces

• 1、 -. "Preparation method of high-purity medicinal roxatidine acetate hydrochloride". . . Retrieved 2021/02/06.
• 2、 -. "Novel preparation method of intermediate namely 3-(1-piperidine methyl)phenol of roxatidine acetate hydrochloride". . . Retrieved 2018/04/02.