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    Cefditoren Sodium

    DIGITAL CONTENT

    ANALYTICAL

    PharmaCompass
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    2D Structure
    Also known as: Cefditoren sodium, Cefditoren (sodium), 104146-53-4, Sodium;(6r,7r)-7-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, Cefditorensodium, C634tp4vz5
    Molecular Formula
    C19H17N6NaO5S3
    Molecular Weight
    528.6  g/mol
    InChI Key
    VFUMWBZIKOREOO-WSWQWPGSSA-M
    FDA UNII
    C634TP4VZ5
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    2.1.2 InChI
    InChI=1S/C19H18N6O5S3.Na/c1-8-11(33-7-21-8)4-3-9-5-31-17-13(16(27)25(17)14(9)18(28)29)23-15(26)12(24-30-2)10-6-32-19(20)22-10;/h3-4,6-7,13,17H,5H2,1-2H3,(H2,20,22)(H,23,26)(H,28,29);/q;+1/p-1/b4-3-,24-12-;/t13-,17-;/m1./s1
    2.1.3 InChI Key
    VFUMWBZIKOREOO-WSWQWPGSSA-M
    2.1.4 Canonical SMILES
    CC1=C(SC=N1)C=CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-].[Na+]
    2.1.5 Isomeric SMILES
    CC1=C(SC=N1)/C=C\C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    C634TP4VZ5
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cefditoren

    2. Cefditoren, Sodium Salt, (6r-(3(z),6alpha,7beta(z)))-isomer

    3. Me 1206

    4. Me-1206

    2.3.2 Depositor-Supplied Synonyms

    1. Cefditoren Sodium

    2. Cefditoren (sodium)

    3. 104146-53-4

    4. Sodium;(6r,7r)-7-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

    5. Cefditorensodium

    6. C634tp4vz5

    7. Me-1206

    8. Hy-17452

    9. Cs-0008424

    10. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 7-(((2z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl)amino)-3-((1z)-2-(4-methyl-5-thiazolyl)ethenyl)-8-oxo-, Sodium Salt (1:1), (6r,7r)-

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 528.6 g/mol
    Molecular Formula C19H17N6NaO5S3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count7
    Exact Mass528.03202547 g/mol
    Monoisotopic Mass528.03202547 g/mol
    Topological Polar Surface Area245 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity934
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Bacterial Agents

    Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)