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    Chemistry

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    Also known as: 1640981-19-6, 1-benzyl-4-hydroxy-2-methyl-1h-1,3-benzodiazole-6-carboxylic acid, Tegoprazan impurity 3, Hat6983vz4, Schembl16372380, Mfcd31730915
    Molecular Formula
    C16H14N2O3
    Molecular Weight
    282.29  g/mol
    InChI Key
    LRVLIEIZJOKBQA-UHFFFAOYSA-N
    FDA UNII
    HAT6983VZ4
    CAS 1640981-19-6
    1 2D Structure

    CAS 1640981-19-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-benzyl-7-hydroxy-2-methylbenzimidazole-5-carboxylic acid
    2.1.2 InChI
    InChI=1S/C16H14N2O3/c1-10-17-15-13(7-12(16(20)21)8-14(15)19)18(10)9-11-5-3-2-4-6-11/h2-8,19H,9H2,1H3,(H,20,21)
    2.1.3 InChI Key
    LRVLIEIZJOKBQA-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    HAT6983VZ4
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (none)

    2.3.2 Depositor-Supplied Synonyms

    1. 1640981-19-6

    2. 1-benzyl-4-hydroxy-2-methyl-1h-1,3-benzodiazole-6-carboxylic Acid

    3. Tegoprazan Impurity 3

    4. Hat6983vz4

    5. Schembl16372380

    6. Mfcd31730915

    7. Ac-30641

    8. Sy468178

    9. Ds-021484

    10. H41920

    11. 4-hydroxy-2-methyl-1-(phenylmethyl)-1h-benzimidazole-6-carboxylic Acid

    2.4 Create Date
    2016-02-23
    3 Chemical and Physical Properties
    Molecular Weight 282.29 g/mol
    Molecular Formula C16H14N2O3
    XLogP32.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area75.4
    Heavy Atom Count21
    Formal Charge0
    Complexity384
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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