Rendix

Base Information

• Chemical Name: Rendix
• CAS No.: 872728-81-9
• Molecular Formula: C34H41N7O5·CH4O3S
• Molecular Weight: 723.85
• European Community (EC) Number: 828-727-6
• NCI Thesaurus Code: C90702
• RXCUI: 1037041
• Mol file: 872728-81-9.mol

Synonyms:BIBR 1048;dabigatran;dabigatran etexilate;dabigatran etexilate mesylate;Etexilate Mesylate, Dabigatran;Etexilate, Dabigatran;Mesylate, Dabigatran Etexilate;N-((2-(((4-(aminoiminomethyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)-N-2-pyridinyl-beta-alanine;Pradaxa

Chemical Property of Rendix

Chemical Property:

• Boiling Point: 827.9 °C at 760 mmHg
• Flash Point: 454.5 °C
• PSA: 216.78000
• LogP: 6.96070
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly, Heated), Methanol (Slightly)
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 17
• Exact Mass: 723.30503259
• Heavy Atom Count: 51
• Complexity: 1100

Purity/Quality:

99% ^*data from raw suppliers

Dabigatran Etexilate Mesylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC(=O)N=C(C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)N.CS(=O)(=O)O
• Isomeric SMILES: CCCCCCOC(=O)/N=C(\C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)/N.CS(=O)(=O)O
• Recent ClinicalTrials: Treating Acute Pancreatitis With Dabigatran, a Pilot Study
• Recent EU Clinical Trials: Vitreretinal surgery with and without oral anticoagulants: surgical complications, visual results and perioperative thromboembolic events.
• Description: Dabigatran etexilate mesylate is a clinical direct thrombin inhibitor and a new type of oral anticoagulant. It can inhibit the formation of thrombus by reversibly and potently competing with the fibrin-specific binding site of thrombin to block fibrin generation.

Technology Process of Rendix

There total 62 articles about Rendix 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: 99.5%

methanesulfonic acid (75-75-2,98527-29-8) + dabigatran etexilate (211915-06-9) → N-[[2-[[[4-[[[(hexyloxy)carbonyl]amino]iminomethyl]phenyl] amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-β-alanine ethyl ester methanesulfonate (872728-81-9)

Guidance literature:

In ethyl acetate; acetone; at 20 - 45 ℃; for 2h;

Reference yield: 98.0%

dabigatran etexilate (211915-06-9) + methanesulfonic acid (75-75-2,98527-29-8) → dabigatran etexilate mesylate (872728-81-9)

Guidance literature:

In acetone; at 26 - 36 ℃; Industry scale;

Reference yield: 91.93%

methanesulfonic acid (75-75-2,98527-29-8) + ethyl 3-[(2-{[4-(hexyloxycarbonylaminoiminomethyl)phenylamino]methyl}-1-methyl-1H-benzimidazole-5-carbonyl)pyridin-2-ylamino]propionate dihydrate → N-[[2-[[[4-[[[(hexyloxy)carbonyl]amino]iminomethyl]phenyl] amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-β-alanine ethyl ester methanesulfonate (872728-81-9)

Guidance literature:

In acetone; at 26 - 46 ℃;

upstream raw materials:

methanesulfonic acid

n-hexyl chloroformate

dabigatran etexilate

1-methyl-2-[N-(4-amidino-phenyl)-aminomethyl]-benzimidazol-5-yl-carboxylic acid N-(2-pyridyl)-N-2-(ethoxycarbonylethyl)-amide p-toluenesulfonic acid salt

Refernces

• 1、 -. "Dabigatran etexilate mesylate preparation method". Paragraph 0037; 0044-0046; 0053-0055; 0062-0063. . Retrieved 2019/07/04.
• 2、 -. "Production process of pradaxa mesylate". Paragraph 0093; 0098; 0120-0123; 0147; 0174; 0189; 0202. . Retrieved 2018/11/22.