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    Technical details about CAS 24701-69-7, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 24701-69-7

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    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

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    2D Structure
    1. Also known as: 7-amca, 24701-69-7, 7-amino-3-methoxymethyl-3-cephem-4-carboxylic acid, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-(methoxymethyl)-8-oxo-, (6r,7r)-, 7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, Schembl6652320
    Molecular Formula
    C9H12N2O4S
    Molecular Weight
    244.27  g/mol
    InChI Key
    BDSDFCVDQUGOFB-SVGQVSJJSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C9H12N2O4S/c1-15-2-4-3-16-8-5(10)7(12)11(8)6(4)9(13)14/h5,8H,2-3,10H2,1H3,(H,13,14)/t5-,8-/m1/s1
    2.1.3 InChI Key
    BDSDFCVDQUGOFB-SVGQVSJJSA-N
    2.1.4 Canonical SMILES
    COCC1=C(N2C(C(C2=O)N)SC1)C(=O)O
    2.1.5 Isomeric SMILES
    COCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 7-amca

    2. 7-amino-4-methylcoumarin-3-acetate

    3. 7-amino-4-methylcoumarin-3-acetic Acid

    2.2.2 Depositor-Supplied Synonyms

    1. 7-amca

    2. 24701-69-7

    3. 7-amino-3-methoxymethyl-3-cephem-4-carboxylic Acid

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

    5. 7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

    6. Schembl6652320

    7. Dtxsid20947640

    8. Bcp12162

    9. Mfcd09839433

    10. Zinc59834247

    11. Akos015999168

    12. 7-amino -3-methoxycephalosporanic Acid

    13. Bs-41663

    14. Cs-0062022

    15. W16720

    16. 701a697

    17. A877828

    18. (7r)-7-amino-3-(methoxymethyl)cepham-3-ene-4-carboxylic Acid

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 244.27 g/mol
    Molecular Formula C9H12N2O4S
    XLogP3-4.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count3
    Exact Mass244.05177804 g/mol
    Monoisotopic Mass244.05177804 g/mol
    Topological Polar Surface Area118 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity382
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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