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    Allisartan Isoproxil

    ACTIVE PHARMA INGREDIENTS

    REF. STANDARDS & IMPURITIES

    PharmaCompass
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    2D Structure
    Also known as: 947331-05-7, Di4662mk4n, Allisartan isoproxil [who-dd], ((isopropoxycarbonyl)oxy)methyl 1-((2'-(1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-butyl-4-chloro-1h-imidazole-5-carboxylate, 1h-imidazole-5-carboxylic acid, 2-butyl-4-chloro-1-((2'-(2h-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, (((1-methylethoxy)carbonyl)oxy)methyl ester, Unii-di4662mk4n
    Molecular Formula
    C27H29ClN6O5
    Molecular Weight
    553.0  g/mol
    InChI Key
    XMHJQQAKXRUCHI-UHFFFAOYSA-N
    FDA UNII
    DI4662MK4N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    propan-2-yloxycarbonyloxymethyl 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
    2.1.2 InChI
    InChI=1S/C27H29ClN6O5/c1-4-5-10-22-29-24(28)23(26(35)37-16-38-27(36)39-17(2)3)34(22)15-18-11-13-19(14-12-18)20-8-6-7-9-21(20)25-30-32-33-31-25/h6-9,11-14,17H,4-5,10,15-16H2,1-3H3,(H,30,31,32,33)
    2.1.3 InChI Key
    XMHJQQAKXRUCHI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCOC(=O)OC(C)C)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    DI4662MK4N
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Als-3 Compound

    2.3.2 Depositor-Supplied Synonyms

    1. 947331-05-7

    2. Di4662mk4n

    3. Allisartan Isoproxil [who-dd]

    4. ((isopropoxycarbonyl)oxy)methyl 1-((2'-(1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-butyl-4-chloro-1h-imidazole-5-carboxylate

    5. 1h-imidazole-5-carboxylic Acid, 2-butyl-4-chloro-1-((2'-(2h-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, (((1-methylethoxy)carbonyl)oxy)methyl Ester

    6. Unii-di4662mk4n

    7. Schembl761436

    8. Sb16810

    9. ((isopropoxycarbonyl)oxy)methyl 1-((2'-(2h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-butyl-4-chloro-1h-imidazole-5-carboxylate

    10. Propan-2-yloxycarbonyloxymethyl 2-butyl-5-chloro-3-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

    2.4 Create Date
    2008-03-17
    3 Chemical and Physical Properties
    Molecular Weight 553.0 g/mol
    Molecular Formula C27H29ClN6O5
    XLogP36.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count14
    Exact Mass552.1887957 g/mol
    Monoisotopic Mass552.1887957 g/mol
    Topological Polar Surface Area134 Ų
    Heavy Atom Count39
    Formal Charge0
    Complexity786
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1