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    Chemistry

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    Also known as: Af4vw4ga3h, 1868065-21-7, Refchem:1100972, Vicadrostat [inn], Vicadrostat (usan/inn), Vicadrostat [usan]
    Molecular Formula
    C15H12ClN3O3
    Molecular Weight
    317.72  g/mol
    InChI Key
    MCVIVPZYYMNCAW-OAHLLOKOSA-N
    FDA UNII
    AF4VW4GA3H
    Vicadrostat
    1 2D Structure

    Vicadrostat

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chloro-4-[(6R)-6-(hydroxymethyl)-6-methyl-4-oxo-7H-pyrano[3,4-d]imidazol-3-yl]benzonitrile
    2.1.2 InChI
    InChI=1S/C15H12ClN3O3/c1-15(7-20)5-12-13(14(21)22-15)19(8-18-12)10-3-2-9(6-17)11(16)4-10/h2-4,8,20H,5,7H2,1H3/t15-/m1/s1
    2.1.3 InChI Key
    MCVIVPZYYMNCAW-OAHLLOKOSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    AF4VW4GA3H
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Af4vw4ga3h

    2. 1868065-21-7

    3. Refchem:1100972

    4. Vicadrostat [inn]

    5. Vicadrostat (usan/inn)

    6. Vicadrostat [usan]

    7. Orb2646390

    8. Chembl6068035

    9. Schembl17456323

    10. Gtpl13885

    11. Bi690517

    12. Compound 29 A [wo2016014736a1]

    13. Hy-163689

    14. Cs-1099562

    15. D13192

    16. 2-chloro-4-((6r)-6-(hydroxymethyl)-6-methyl-4-oxo-6,7-dihydropyrano(3,4-d)imidazol-3(4h)-yl)benzonitrile

    17. 2-chloro-4-[(6r)-6,7-dihydro-6-(hydroxymethyl)-6-methyl-4-oxopyrano[3,4-d]imidazol-3(4h)-yl]benzonitrile

    18. 2-chloro-4-[(6r)-6-(hydroxymethyl)-6-methyl-4-oxo-7h-pyrano[3,4-d]imidazol-3-yl]benzonitrile

    19. Benzonitrile, 2-chloro-4-((6r)-6,7-dihydro-6-(hydroxymethyl)-6-methyl-4-oxopyrano(3,4-d)imidazol-3(4h)-yl)-

    2.4 Create Date
    2016-02-23
    3 Chemical and Physical Properties
    Molecular Weight 317.72 g/mol
    Molecular Formula C15H12ClN3O3
    XLogP31.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area88.1
    Heavy Atom Count22
    Formal Charge0
    Complexity508
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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