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    Cefmenoxime HCl

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Cefmenoxime hcl, Chebi:31370, Cmx, (6r,7r)-7-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride (2:1), 7beta-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydropenam-4-carboxylic acid hydrochloride (2:1)
    Molecular Formula
    C32H35ClN18O10S6
    Molecular Weight
    1059.6  g/mol
    InChI Key
    MPTNDTIREFCQLK-UNVJPQNDSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydron;chloride
    2.1.2 InChI
    InChI=1S/2C16H17N9O5S3.ClH/c2*1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7;/h2*5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29);1H/b2*21-8-;/t2*9-,13-;/m11./s1
    2.1.3 InChI Key
    MPTNDTIREFCQLK-UNVJPQNDSA-N
    2.1.4 Canonical SMILES
    [H+].CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O.CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O.[Cl-]
    2.1.5 Isomeric SMILES
    [H+].CN1N=NN=C1SCC2=C(N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)C(=O)O.CN1N=NN=C1SCC2=C(N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)C(=O)O.[Cl-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Cefmenoxime Hcl

    2. Chebi:31370

    3. Cmx

    4. (6r,7r)-7-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Hydrochloride (2:1)

    5. 7beta-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydropenam-4-carboxylic Acid Hydrochloride (2:1)

    2.3 Create Date
    2010-05-07
    3 Chemical and Physical Properties
    Molecular Weight 1059.6 g/mol
    Molecular Formula C32H35ClN18O10S6
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count29
    Rotatable Bond Count16
    Exact Mass1058.0796341 g/mol
    Monoisotopic Mass1058.0796341 g/mol
    Topological Polar Surface Area539 Ų
    Heavy Atom Count67
    Formal Charge0
    Complexity890
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count4