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    CAS 189400-21-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 189400-21-3, 144690-33-5, Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(1-trityl-1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1h-imidazole-5-carboxylate, Ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate, Olmesartan ethyl ester trityl impurity, Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[4-[2-(trityltetrazol-5-yl)phenyl]phenyl]methylimidazole-5-carboxylate
    Molecular Formula
    C45H44N6O3
    Molecular Weight
    716.9  g/mol
    InChI Key
    TZQDBKJBKJIHPR-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
    2.1.2 InChI
    InChI=1S/C45H44N6O3/c1-5-18-39-46-41(44(3,4)53)40(43(52)54-6-2)50(39)31-32-27-29-33(30-28-32)37-25-16-17-26-38(37)42-47-48-49-51(42)45(34-19-10-7-11-20-34,35-21-12-8-13-22-35)36-23-14-9-15-24-36/h7-17,19-30,53H,5-6,18,31H2,1-4H3
    2.1.3 InChI Key
    TZQDBKJBKJIHPR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OCC)C(C)(C)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 189400-21-3

    2. 144690-33-5

    3. Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(1-trityl-1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1h-imidazole-5-carboxylate

    4. Ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

    5. Olmesartan Ethyl Ester Trityl Impurity

    6. Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[4-[2-(trityltetrazol-5-yl)phenyl]phenyl]methylimidazole-5-carboxylate

    7. 4-(1-hydroxy-1-methylethyl)-2-propyl-1-((2'-((triphenylmethyl)-1h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl)methyl)-1h-imidazole-5-carboxylic Acid Ethyl Ester

    8. Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate

    9. Ac-3501

    10. Schembl1966071

    11. Dtxsid00597607

    12. Amy22221

    13. Bcp12280

    14. Mfcd11973634

    15. Zinc72132770

    16. Akos015896701

    17. Ds-19558

    18. Olmesartan Ethyl Ester N-1 Trityl Analog

    19. Cs-0163094

    20. D83710

    21. 400h213

    22. J-520918

    23. 1-[[2'-(1-trityl-1h-tetrazole-5-yl)-1,1'-biphenyl-4-yl]methyl]-2-propyl-4-(1-hydroxy-1-methylethyl)-1h-imidazole-5-carboxylic Acid Ethyl Ester

    24. 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2'-[(triphenylmethyl)-1h-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1h-imidazole-5-carboxylic Acid Ethyl Este

    25. 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2'-[(triphenylmethyl)-1h-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1h-imidazole-5-carboxylicacidethylester

    26. 4-(2-hydroxypropan-2-yl)-2-propyl-1-[2'-(1-triphenylmethyl-1h-tetrazol-5-yl)biphenyl-4-ylmethyl]-1h-imidazole-5-carboxylic Acid Ethyl Ester

    27. Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl }methylimidazole-5-carboxylate

    28. Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(1-trityl-1h-tetrazol-5-yl)biphenyl-4-yl)methyl)-1h-imidazole-5-carboxylate

    29. Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-({2'-[1-(triphenylmethyl)-1h-tetrazol-5-yl][1,1'-biphenyl]-4-yl}methyl)-1h-imidazole-5-carboxylate

    30. Ethyl-4-(1-hydroxy-1-methylethyl)-2-propyl-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate

    31. Ethyl4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(1-trityl-1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1h-imidazole-5-carboxylate

    32. N1-trityl Olmesartan Ethyl Ester Analog; 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2?-[1-(triphenylmethyl)-1h-tetrazol-5-yl][1,1?-biphenyl]-4-yl]methyl]-1h-imidazole-5-carboxylic Acid Ethyl Ester

    2.3 Create Date
    2007-12-04
    3 Chemical and Physical Properties
    Molecular Weight 716.9 g/mol
    Molecular Formula C45H44N6O3
    XLogP38.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count14
    Exact Mass716.34748929 g/mol
    Monoisotopic Mass716.34748929 g/mol
    Topological Polar Surface Area108 Ų
    Heavy Atom Count54
    Formal Charge0
    Complexity1110
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1