Candoxatril

Base Information

• Chemical Name: Candoxatril
• CAS No.: 123122-55-4
• Molecular Formula: C₂₉H₄₁NO₇
• Molecular Weight: 515.647
• UNII: ACP75508EE
• DSSTox Substance ID: DTXSID6047286
• Nikkaji Number: J391.069E
• Wikipedia: Candoxatril
• Wikidata: Q5032033
• NCI Thesaurus Code: C171870
• Metabolomics Workbench ID: 49980
• ChEMBL ID: CHEMBL35084
• Mol file: 123122-55-4.mol

Synonyms:3-(1-((4-carboxycyclohexyl)carbamoyl)cyclopentyl)-2-(2-methoxyethoxymethyl)propanoic acid 5-indanyl ester;candoxatril;UK 79300;UK-79,300

Chemical Property of Candoxatril

Chemical Property:

• Melting Point: 107-109°
• Boiling Point: 718.4°Cat760mmHg
• Flash Point: 388.3°C
• PSA: 114.65000
• Density: 1.21g/cm³
• LogP: 4.91030
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 13
• Exact Mass: 515.28830265
• Heavy Atom Count: 37
• Complexity: 772

Purity/Quality:

99% ^*data from raw suppliers

Candoxatril ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCCOCC(CC1(CCCC1)C(=O)NC2CCC(CC2)C(=O)O)C(=O)OC3=CC4=C(CCC4)C=C3
• Isomeric SMILES: COCCOC[C@H](CC1(CCCC1)C(=O)NC2CCC(CC2)C(=O)O)C(=O)OC3=CC4=C(CCC4)C=C3
• Uses: Neutral endopeptidase inhibitor. Candoxatril is used in treatment of congestive heart failure. Neutral endopeptidase inhibitor. Used in treatment of congestive heart failure.

Technology Process of Candoxatril

There total 1 articles about Candoxatril 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: 77.0%

(S)-benzyl cis-4-{1-[2-(5-indanyloxycarbonyl)-3-(2-methoxyethoxy)propyl]-1-cyclopentanecarboxamido}-1-cyclohexanecarboxylate → Candoxatril (123122-55-4)

Guidance literature:

palladium on charcoal catalyst; In diethyl ether; ethanol;