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    CAS 139481-58-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Candesartan ethyl ester, 139481-58-6, Ethyl 1-((2'-(2h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate, 8tt2y1f36j, Ethyl 2-ethoxy-3-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate, Ethyl 1-((2'-(1h -tetrazol-5-yl)biphenyl-4-yl)methyl(-2-ethoxybenzimidazole-7-carboxylate
    Molecular Formula
    C26H24N6O3
    Molecular Weight
    468.5  g/mol
    InChI Key
    BCPWNYREAURMOP-UHFFFAOYSA-N
    FDA UNII
    8TT2Y1F36J
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
    2.1.2 InChI
    InChI=1S/C26H24N6O3/c1-3-34-25(33)21-10-7-11-22-23(21)32(26(27-22)35-4-2)16-17-12-14-18(15-13-17)19-8-5-6-9-20(19)24-28-30-31-29-24/h5-15H,3-4,16H2,1-2H3,(H,28,29,30,31)
    2.1.3 InChI Key
    BCPWNYREAURMOP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OCC
    2.2 Other Identifiers
    2.2.1 UNII
    8TT2Y1F36J
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Candesartan Ethyl Ester

    2. 139481-58-6

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

    4. 8tt2y1f36j

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

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

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

    8. 1h-benzimidazole-7-carboxylic Acid, 2-ethoxy-1-((2'-(1h-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, Ethyl Ester

    9. 1h-benzimidazole-7-carboxylic Acid, 2-ethoxy-1-((2'-(2h-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, Ethyl Ester

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

    11. Unii-8tt2y1f36j

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

    13. Candesartan Cilexetil Ep Impurity A

    14. Candesartan Cilexetil Impurity A [ep]

    15. Ec 642-256-1

    16. Candesartan Cilexetil Specified Impurity A [ep]

    17. Schembl683298

    18. Dtxsid50161059

    19. Zinc603603

    20. Amy22169

    21. Bcp07078

    22. Ethyl -2-ethoxy-1-[[(2-(1htetrazol-5-yl)biphenyl-4-yl-) Methyl]

    23. Akos015964210

    24. Candesartan Cilexetil Related Compound A

    25. Ac-18527

    26. As-58069

    27. Ethyl -2-ethoxy-1-[[(2 Inverted Exclamation Marka-(1htetrazol-5-yl)biphenyl-4-yl-) Methyl]benzimidazole]-7-carboxylate

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

    29. Ft-0664224

    30. D95996

    31. 481e699

    32. L006258

    33. A1-01748

    34. J-007280

    35. Candesartan Cilexetil Impurity A [ep Impurity]

    36. Q27270999

    37. Ethyl-2-ethoxy-1-[[(2-(1htetrazol-5-yl)biphenyl-4-yl-)methyl]

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

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

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

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

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

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

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

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

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

    47. (ethyl 1-{[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]methyl-2-ethoxybenzimidazole-7-carboxylate)

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

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

    50. Ethyl 2-ethoxy-1-{[2'-(1h-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1h-1,3-benzodiazole-7-carboxylate

    51. Ethyl1-((2'-(2h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 468.5 g/mol
    Molecular Formula C26H24N6O3
    XLogP34.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count9
    Exact Mass468.19098865 g/mol
    Monoisotopic Mass468.19098865 g/mol
    Topological Polar Surface Area108 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity690
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1