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    Technical details about A838434, learn more about the structure, uses, toxicity, action, side effects and more

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    A838434

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: Bcp12063, Akos015896120, Ac-15612, C-2475, A838434, Cefminox sodium salt, antibiotic for culture media use only
    Molecular Formula
    C16H20N7NaO7S3
    Molecular Weight
    541.6  g/mol
    InChI Key
    SBIDXLKJYJVQOE-ZMUPEPPLSA-M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;(6R,7S)-7-[[2-(2-amino-2-carboxyethyl)sulfanylacetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    2.1.2 InChI
    InChI=1S/C16H21N7O7S3.Na/c1-22-15(19-20-21-22)33-4-7-3-32-14-16(30-2,13(29)23(14)10(7)12(27)28)18-9(24)6-31-5-8(17)11(25)26;/h8,14H,3-6,17H2,1-2H3,(H,18,24)(H,25,26)(H,27,28);/q;+1/p-1/t8?,14-,16+;/m1./s1
    2.1.3 InChI Key
    SBIDXLKJYJVQOE-ZMUPEPPLSA-M
    2.1.4 Canonical SMILES
    CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)CSCC(C(=O)O)N)OC)SC2)C(=O)[O-].[Na+]
    2.1.5 Isomeric SMILES
    CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSCC(C(=O)O)N)OC)SC2)C(=O)[O-].[Na+]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Bcp12063

    2. Akos015896120

    3. Ac-15612

    4. C-2475

    5. A838434

    6. Cefminox Sodium Salt, Antibiotic For Culture Media Use Only

    7. 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[2-[[(2s)-2-amino-2-carboxyethyl]thio]acetyl]amino]-7-methoxy-3-[[(1-methyl-1h-tetrazol-5-yl)t

    8. Sodium(6r,7s)-7-[[2-(2-amino-3-hydroxy-3-oxopropyl)sulfanylacetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

    2.3 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 541.6 g/mol
    Molecular Formula C16H20N7NaO7S3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count11
    Exact Mass541.04840381 g/mol
    Monoisotopic Mass541.04840381 g/mol
    Topological Polar Surface Area282 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity869
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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