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    CAS 170791-09-0

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 170791-09-0, 1-(((cyclohexyloxy)carbonyl)oxy)ethyl 2-ethoxy-1-((2'-(1-trityl-1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylate, (+/-)-trityl candesartan cilexetil, 1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate, 006a6a2yso, (1rs)-1-(((cyclohexyloxy)carbonyl)oxy)ethyl 2-ethoxy-1-((2'-(1-(triphenylmethyl)-1h-tetrazol-5-yl)biphenyl-4-yl)methyl)-1h-benzimidazole-7-carboxylate
    Molecular Formula
    C52H48N6O6
    Molecular Weight
    853.0  g/mol
    InChI Key
    MOHQWFWIPOOTGV-UHFFFAOYSA-N
    FDA UNII
    006A6A2YSO
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
    2.1.2 InChI
    InChI=1S/C52H48N6O6/c1-3-61-50-53-46-30-18-29-45(49(59)62-36(2)63-51(60)64-42-25-14-7-15-26-42)47(46)57(50)35-37-31-33-38(34-32-37)43-27-16-17-28-44(43)48-54-55-56-58(48)52(39-19-8-4-9-20-39,40-21-10-5-11-22-40)41-23-12-6-13-24-41/h4-6,8-13,16-24,27-34,36,42H,3,7,14-15,25-26,35H2,1-2H3
    2.1.3 InChI Key
    MOHQWFWIPOOTGV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)OC(C)OC(=O)OC9CCCCC9
    2.2 Other Identifiers
    2.2.1 UNII
    006A6A2YSO
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 170791-09-0

    2. 1-(((cyclohexyloxy)carbonyl)oxy)ethyl 2-ethoxy-1-((2'-(1-trityl-1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylate

    3. (+/-)-trityl Candesartan Cilexetil

    4. 1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

    5. 006a6a2yso

    6. (1rs)-1-(((cyclohexyloxy)carbonyl)oxy)ethyl 2-ethoxy-1-((2'-(1-(triphenylmethyl)-1h-tetrazol-5-yl)biphenyl-4-yl)methyl)-1h-benzimidazole-7-carboxylate

    7. 1h-benzimidazole-7-carboxylic Acid, 2-ethoxy-1-((2'-(1-(triphenylmethyl)-1h-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, 1-(((cyclohexyloxy)carbonyl)oxy)ethyl Ester

    8. 2-ethoxy-1-((2'-(1-trityl-1h-tetrazol-5-yl)-1,1'-biphenyl-4-yl)methyl)-7-benzimidazolecarboxylic Acid 1-(cyclohexyloxycarbonyloxy)ethyl Ester

    9. Unii-006a6a2yso

    10. 1h-benzimidazole-7-carboxylic Acid, 2-ethoxy-1-[[2'-[1-(triphenylmethyl)-1h-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-, 1-[[(cyclohexyloxy)carbonyl]oxy]ethyl Ester

    11. Candesartan Cilexetil Impurity H [ep]

    12. Ec 605-586-7

    13. Candesartan Cilexetil Specified Impurity H [ep]

    14. Schembl2477228

    15. Dtxsid901308612

    16. Bcp12026

    17. Mfcd07781274

    18. Akos015896145

    19. Ab42672

    20. Ac-6865

    21. Am90298

    22. 2-ethoxy-3-[2'-(1-trityl-1h-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3h-benzoimidazole-4-carboxylic Acid 1-cyclohexyloxycarbonyloxy-ethyl Ester

    23. As-13564

    24. Cs-0135671

    25. Ft-0658910

    26. C73285

    27. 2-phenyl-2h-benzo[b][1,4]thiazin-3(4h)-one

    28. 791t090

    29. A811240

    30. Candesartan Cilexetil Impurity H [ep Impurity]

    31. Q27231326

    32. (+)-1-(cyclohexyloxycarbonyloxy)-ethyl 2-ethoxy-1-[2'-(n-triphenylmethyl-1h-tetrazol-5-yl)biphenyl-4-yl]methylbenzimidazole-7-carboxylate

    33. (+/-)-1-(ciclohexiloxicarboniloxi)etil-2-etoxi-1-((2'-(trifenilmetiltetrazol-5-il)bifenil)-4-il)metil)-1h-bencimidazol-7-carboxilato

    34. (+/-)-1-(cyclohexyloxycarbonyloxy)ethyl 2-ethoxy-1-[2'-(n-triphenylmethyl-1h-tetrazol-5-yl)biphenyl-4-yl]methylbenzimidazole-7-carboxylate

    35. 1-(((cyclohexyloxy)carbonyl)oxy)ethyl2-ethoxy-1-((2'-(1-trityl-1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylate

    36. 1-(cyclohexyloxycarbonyloxy)ethyl 2-ethoxy-1-((2'-(1-trityl-1h-tetrazol-5-yl)biphenyl-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylate

    37. 1-(cyclohexyloxycarbonyloxy)ethyl-2-ethoxy-1-[[2'-(n-triphenylmethyl-1h -tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazol-7-carboxylate

    38. 1-(cyclohexyloxycarbonyloxy)ethyl-2-ethoxy-1-[[2'-(n-triphenylmethyltetrazole-5-yl)biphenyl-4-yl]methy]benzimidazole-7-carboxylate

    39. 1-(cyclohexyloxycarbonyloxy)ethyl-2-ethoxy-1-[[2'-(n-triphenylmethyltetrazole-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylate

    40. 1-[[(cyclohexyl Oxy)carbonyl]oxy]ethyl 2-ethoxy-1-[[2'-(1-triphenylmethyl-1h-tetrazol-5-yl)biphenyl-4-yl]methyl]-1h-benzimidazole-7-carboxylate

    41. 1-[[(cyclohexyloxy)carbonyl]oxy]ethyl 2-ethoxy-1-[[2'-(1-triphenylmethyl-1h-tetrazol-5-yl)biphenyl-4-yl]methyl]-1h-benzimidazole-7-carboxylate

    42. 1-[2'-(1-trityl-1h-tetrazole-5-yl)-4-biphenylylmethyl]-2-ethoxy-1h-benzoimidazole-7-carboxylic Acid 1-(cyclohexyloxycarbonyloxy)ethyl Ester

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 853.0 g/mol
    Molecular Formula C52H48N6O6
    XLogP311.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count17
    Exact Mass852.36353327 g/mol
    Monoisotopic Mass852.36353327 g/mol
    Topological Polar Surface Area133 Ų
    Heavy Atom Count64
    Formal Charge0
    Complexity1410
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1