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    CAS 139481-69-9

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 139481-69-9, Methyl 1-((2'-(2h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate, Candesartan methyl ester, Ng25z8ew4v, Chembl308884, Methyl 1-((2'-(2h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)-methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate
    Molecular Formula
    C25H22N6O3
    Molecular Weight
    454.5  g/mol
    InChI Key
    RBPFEPGTRLLUKI-UHFFFAOYSA-N
    FDA UNII
    NG25Z8EW4V
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
    2.1.2 InChI
    InChI=1S/C25H22N6O3/c1-3-34-25-26-21-10-6-9-20(24(32)33-2)22(21)31(25)15-16-11-13-17(14-12-16)18-7-4-5-8-19(18)23-27-29-30-28-23/h4-14H,3,15H2,1-2H3,(H,27,28,29,30)
    2.1.3 InChI Key
    RBPFEPGTRLLUKI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    NG25Z8EW4V
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 139481-69-9

    2. Methyl 1-((2'-(2h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

    3. Candesartan Methyl Ester

    4. Ng25z8ew4v

    5. Chembl308884

    6. Methyl 1-((2'-(2h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)-methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

    7. Methyl 1-((2'-(1h-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-ethoxybenzimidazole-7-carboxylate

    8. Methyl 2-ethoxy-1-((2'-(1h-tetrazol-5-yl)biphenyl-4-yl)methyl)-1h-benzimidazole-7-carboxylate

    9. Methyl 2-ethoxy-1-((2'-(1h-tetrazol-5-yl)biphenyl-4-yl)methyl)benzimidazole-7-carboxylate

    10. Methyl 2-ethoxy-1-[[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylate

    11. Methyl 2-ethoxy-3-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

    12. (+/-)-methyl 2-ethoxy-1-((2'-(1h-tetrazol-5-yl)biphenyl-4-yl)methyl)benzimidazole-7-carboxylate

    13. 1h-benzimidazole-7-carboxylic Acid, 2-ethoxy-1-((2'-(1h-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, Methyl Ester

    14. 1h-benzimidazole-7-carboxylic Acid, 2-ethoxy-1-((2'-(2h-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, Methyl Ester

    15. Ethyl-2-ethoxy-1-[[(2'-(1h-tetrazol-5-yl)biphenyl-4-yl)methyl]benzimidazole]-7-carboxylate

    16. Unii-ng25z8ew4v

    17. Methyl 2-ethoxy-1-[[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]methyl]-1h-benzimidazole-7-carboxylate (candesartan Methyl Ester)

    18. Methyl 2-ethoxy-3-[[4-[2-(1h-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

    19. Candesartan Cilexetil Impurity I [ep]

    20. Candesartan Methyl Ester-[d5]

    21. Schembl1653406

    22. Dtxsid60161060

    23. Bcp12918

    24. Bdbm50044396

    25. Mfcd18379253

    26. Zinc13760710

    27. Akos015900107

    28. Akos016001589

    29. Ds-12084

    30. Cs-0151434

    31. Ft-0664227

    32. D82209

    33. A886000

    34. Candesartan Cilexetil Impurity I [ep Impurity]

    35. Q27284852

    36. Methyl 2-ethoxy-1-[[2'-(1 H-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylate

    37. Methyl 2-ethoxy-1-[[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]-methyl]benzimidazole-7-carboxylate

    38. Methyl 2-ethoxy-1-[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]methylbenzimidazole-7carboxylate

    39. 1h-benzimidazole-7-carboxylicacid,1-[(2-cyano[1,1-biphenyl]-4-yl)methyl]-2-ethox-y-ethylester

    40. 2-ethoxy-1-[[2'-(1h-tetrazole-5-yl)biphenyl-4-yl]methyl]-1h-benzimidazole-7-carboxylic Acid Methyl Ester

    41. 2-ethoxy-3-[2''-(1h-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3h-benzoimidazole-4-carboxylic Acid Methyl Ester

    42. Methyl1-((2'-(2h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

    2.4 Create Date
    2007-02-12
    3 Chemical and Physical Properties
    Molecular Weight 454.5 g/mol
    Molecular Formula C25H22N6O3
    XLogP34.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count8
    Exact Mass454.17533859 g/mol
    Monoisotopic Mass454.17533859 g/mol
    Topological Polar Surface Area108 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity675
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1