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    Technical details about 7-Amino-3-[(5-Methyl-1,3,4-Thiadiazol-2-Yl)Thiomethyl]Cephalosphoranic Acid, learn more about the structure, uses, toxicity, action, side effects and more

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    7-Amino-3-[(5-Methyl-1,3,4-Thiadiazol-2-Yl)Thiomethyl]Cephalosphoranic Acid

    APIs // Active Pharmaceutical Ingredients

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    2D Structure
    1. Also known as: 30246-33-4, Cefazolin impurity a, Schembl11675089, Bcp12160, W-110774, (7r)-7-amino-3-((5-methyl-1,3,4-thiadiazol-2-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    Molecular Formula
    C11H12N4O3S3
    Molecular Weight
    344.4  g/mol
    InChI Key
    HJSGHKMSDOLGJJ-VJSCVCEBSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (7R)-7-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C11H12N4O3S3/c1-4-13-14-11(21-4)20-3-5-2-19-9-6(12)8(16)15(9)7(5)10(17)18/h6,9H,2-3,12H2,1H3,(H,17,18)/t6-,9?/m1/s1
    2.1.3 InChI Key
    HJSGHKMSDOLGJJ-VJSCVCEBSA-N
    2.1.4 Canonical SMILES
    CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
    2.1.5 Isomeric SMILES
    CC1=NN=C(S1)SCC2=C(N3C([C@@H](C3=O)N)SC2)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 30246-33-4

    2. Cefazolin Impurity A

    3. Schembl11675089

    4. Bcp12160

    5. W-110774

    6. (7r)-7-amino-3-((5-methyl-1,3,4-thiadiazol-2-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 344.4 g/mol
    Molecular Formula C11H12N4O3S3
    XLogP3-3.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count4
    Exact Mass344.00715378 g/mol
    Monoisotopic Mass344.00715378 g/mol
    Topological Polar Surface Area188 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity515
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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