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    Avizafone

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    2D Structure
    Also known as: Pro-diazepam, 65617-86-9, Avizafonum [inn-latin], Avizafona [inn-spanish], Ro 03-7355/000, Chebi:2940
    Molecular Formula
    C22H27ClN4O3
    Molecular Weight
    430.9  g/mol
    InChI Key
    LTKOVYBBGBGKTA-SFHVURJKSA-N
    FDA UNII
    65NK71K78P
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2,6-diamino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)-2-oxoethyl]hexanamide
    2.1.2 InChI
    InChI=1S/C22H27ClN4O3/c1-27(20(28)14-26-22(30)18(25)9-5-6-12-24)19-11-10-16(23)13-17(19)21(29)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,18H,5-6,9,12,14,24-25H2,1H3,(H,26,30)/t18-/m0/s1
    2.1.3 InChI Key
    LTKOVYBBGBGKTA-SFHVURJKSA-N
    2.1.4 Canonical SMILES
    CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)CNC(=O)C(CCCCN)N
    2.1.5 Isomeric SMILES
    CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)CNC(=O)[C@H](CCCCN)N
    2.2 Other Identifiers
    2.2.1 UNII
    65NK71K78P
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-benzoyl-4-chloromethyl-n-lysyl-glycinanilide

    2. 2-benzoyl-4-chloromethyl-n-lysylglycin Anilide

    3. Pro-diazepam

    4. Ro 3-7355-002

    2.3.2 Depositor-Supplied Synonyms

    1. Pro-diazepam

    2. 65617-86-9

    3. Avizafonum [inn-latin]

    4. Avizafona [inn-spanish]

    5. Ro 03-7355/000

    6. Chebi:2940

    7. 65nk71k78p

    8. Ro-037355000

    9. 2'-benzoyl-4'-chloro-2-((s)-2,6-diaminohexanamido)-n-methylacetanilide

    10. Avizafonum

    11. Avizafona

    12. (s)-2,6-diamino-n-(2-((2-benzoyl-4-chlorophenyl)(methyl)amino)-2-oxoethyl)hexanamide

    13. Avizafone [inn:ban]

    14. Unii-65nk71k78p

    15. Avizafone [inn]

    16. Avizafone [mart.]

    17. Avizafone [who-dd]

    18. (2s)-2,6-diamino-n-[2-(2-benzoyl-4-chloro-n-methylanilino)-2-oxoethyl]hexanamide

    19. Schembl34243

    20. Chembl2103985

    21. Dtxsid90215868

    22. Zinc1532335

    23. (2s)-2,6-diamino-n-[2-(2-benzoyl-4-chloro-n-methyl-anilino)-2-oxo-ethyl]hexanamide

    24. Ro-03-7355/000

    25. Q4829057

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 430.9 g/mol
    Molecular Formula C22H27ClN4O3
    XLogP31.9
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count10
    Exact Mass430.1771684 g/mol
    Monoisotopic Mass430.1771684 g/mol
    Topological Polar Surface Area119 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity583
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1