Abitesartan

Base Information

• Chemical Name: Abitesartan
• CAS No.: 137882-98-5
• Molecular Formula: C26H31N5O3
• Molecular Weight: 461.564
• UNII: 3YY13B9G25
• DSSTox Substance ID: DTXSID50160360
• Wikipedia: Abitesartan
• Wikidata: Q4667980
• NCI Thesaurus Code: C72932
• ChEMBL ID: CHEMBL1742401
• Mol file: 137882-98-5.mol

Synonyms:Abitesartan;137882-98-5;Abitesartan [INN];TISARTAN;UNII-3YY13B9G25;1-[[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]methyl]cyclopentane-1-carboxylic acid;3YY13B9G25;CGP 49870;1-((N-(p-(o-1H-Tetrazol 5-ylphenyl)benzyl)valeramido)methyl-1-cyclopentane carboxylic acid;C26H31N5O3;1-((N-(p-(o-1H-Tetrazol-5-ylphenyl)benzyl)valeramido)methyl-1-cyclopentane carboxylic acid;SCHEMBL2527;ABITESARTAN [WHO-DD];CHEMBL1742401;DTXSID50160360;AKOS040747735;C26-H31-N5-O3;L010933;Q4667980;1-[N-[(2'-(1H-Tetrazol-5-yl)biphenyl-4-yl)methyl]-N-valerylaminomethyl]cyclopentane-1-carboxylic acid;N-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]-N-valeryl-1-aminomethylcyclopentane-1-carboxylic acid

Chemical Property of Abitesartan

Chemical Property:

• Vapor Pressure: 1.1E-21mmHg at 25°C
• Boiling Point: 718.8°Cat760mmHg
• Flash Point: 388.5°C
• PSA: 112.07000
• Density: 1.236g/cm³
• LogP: 4.69750
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 461.24268987
• Heavy Atom Count: 34
• Complexity: 675

Purity/Quality:

ABITESARTAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)CC4(CCCC4)C(=O)O

Technology Process of Abitesartan

There total 1 articles about Abitesartan 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:

→ N-(2-Carboxy-2,2-tetramethylen-ethyl)-N-pentanoyl-N-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-amine (137882-98-5)

Guidance literature:

Reference yield:

N-(2-Carboxy-2,2-tetramethylen-ethyl)-N-pentanoyl-N-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-amine (137882-98-5) + CH2 Cl2 -MeOH → N-[2-(n-Butoxycarbonyl)-2,2-tetramethylen-ethyl]-N-pentanoyl-N-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-amine (137863-26-4)

Guidance literature:

With hydrogenchloride; molecular sieve; In butan-1-ol;

Reference yield:

N-(2-Carboxy-2,2-tetramethylen-ethyl)-N-pentanoyl-N-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-amine (137882-98-5) + tyramine hydrochloride (60-19-5) → N-{2-[2-(4-Hydroxyphenyl)ethylaminocarbonyl]-2,2-tetramethylen-ethyl}-N-pentanoyl-N-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-amine (137863-14-0)

Guidance literature:

With hydrogenchloride; benzotriazol-1-ol; In ethyl acetate; N,N-dimethyl-formamide;

Downstream raw materials:

N-(2-Benzylaminocarbonyl-2,2-tetramethylen-ethyl)-N-pentanoyl-N-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-amine

N-{2-[2-(4-Hydroxyphenyl)ethylaminocarbonyl]-2,2-tetramethylen-ethyl}-N-pentanoyl-N-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-amine

N-[2-(n-Butoxycarbonyl)-2,2-tetramethylen-ethyl]-N-pentanoyl-N-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-amine

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