Moexipril

Base Information

• Chemical Name: Moexipril
• CAS No.: 103775-10-6
• Molecular Formula: C₂₇H₃₄N₂O₇
• Molecular Weight: 498.576
• UNII: WT87C52TJZ
• DSSTox Substance ID: DTXSID9023330
• Nikkaji Number: J557.758F
• Wikipedia: Moexipril
• Wikidata: Q2291605
• NCI Thesaurus Code: C83967
• Pharos Ligand ID: T4DDCCHLNL1B
• Metabolomics Workbench ID: 43004
• ChEMBL ID: CHEMBL1165
• Mol file: 103775-10-6.mol

Synonyms:2-((1-ethoxycarbony)-3-phenylpropylamino-1-oxopropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;Fempress;Moex;moexipril;moexipril hydrochloride;Perdix;RS 10085;RS-10085;Univasc

Chemical Property of Moexipril

Chemical Property:

• Vapor Pressure: 4.1E-21mmHg at 25°C
• Refractive Index: 1.564
• Boiling Point: 709.3 °C at 760 mmHg
• PKA: 2.94±0.20(Predicted)
• Flash Point: 382.8 °C
• PSA: 114.40000
• Density: 1.221 g/cm³
• LogP: 2.91310
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 498.23660143
• Heavy Atom Count: 36
• Complexity: 742

Purity/Quality:

99% ^*data from raw suppliers

Moexipril-d3HCl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Drug Classes: Angiotensin-Converting Enzyme Inhibitors
• Canonical SMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC(=C(C=C3CC2C(=O)O)OC)OC
• Isomeric SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CC3=CC(=C(C=C3C[C@H]2C(=O)O)OC)OC
• Recent ClinicalTrials: Moexipril for Primary Biliary Cirrhosis
• Uses: Antihypertensive; enzyme inhibitor (angiotensinconverting).
• Therapeutic Function: Antihypertensive

Technology Process of Moexipril

There total 2 articles about Moexipril 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:

(R)-2-[(S)-2-((S)-1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid benzyl ester → 2-<2-<<1-(ethoxycarbonyl)-3-phenylpropyl>amino>-1-oxopropyl>-1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid (103775-12-8,103775-10-6,103775-11-7)

Guidance literature:

With trifluoroacetic acid; for 1h; Ambient temperature;

DOI:10.1021/jm00160a026

Reference yield:

→ moexipril (103775-10-6,103775-11-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; Inert atmosphere;

Refernces

• 1、 Klutchko,Blankley,Fleming,Hinkley,Werner,Nordin,Holmes,Hoefle,Cohen,Essenburg. "Synthesis of novel angiotensin converting enzyme inhibitor quinapril and related compounds. A divergence of structure-activity relationships for non-sulfhydryl and sulfhydryl types". . p. 1953 - 1961. Retrieved 2007/10/02.