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    Technical details about CAS 22252-43-3, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 22252-43-3

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 22252-43-3, 7-aminodeacetoxycephalosporanic acid, (6r,7r)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-adca, 7-amino-3-methyl-3-cephem-4-carboxylic acid, Cephalexin impurity b
    Molecular Formula
    C8H10N2O3S
    Molecular Weight
    214.24  g/mol
    InChI Key
    NVIAYEIXYQCDAN-CLZZGJSISA-N
    FDA UNII
    ANM3MSM8TN
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6R,7R)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)/t4-,7-/m1/s1
    2.1.3 InChI Key
    NVIAYEIXYQCDAN-CLZZGJSISA-N
    2.1.4 Canonical SMILES
    CC1=C(N2C(C(C2=O)N)SC1)C(=O)O
    2.1.5 Isomeric SMILES
    CC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    ANM3MSM8TN
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 7-adca

    2. 7-aminodeacetoxycephalosporanic Acid

    3. 7-desacetoxyaminocephalosporanic Acid

    2.3.2 Depositor-Supplied Synonyms

    1. 22252-43-3

    2. 7-aminodeacetoxycephalosporanic Acid

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

    4. 7-adca

    5. 7-amino-3-methyl-3-cephem-4-carboxylic Acid

    6. Cephalexin Impurity B

    7. Anm3msm8tn

    8. 3-methyl-7-aminoceph-3-em-4-carboxylic Acid

    9. Cefalexine Ep Impurity B

    10. 7beta-aminodeacetoxycephalosporanic Acid

    11. Deacetoxycephalosporanic Acid

    12. Chebi:64984

    13. 7beta-amino-3-methyl-3-cephem-4-carboxylic Acid

    14. 7beta-amino-3-methylceph-3-em-4-carboxylic Acid

    15. 7-amino Desacetoxy Cephalosporanic Acid

    16. 70287-30-8

    17. 7-amino-3-methylceph-3-em-4-carboxylic Acid

    18. 7-amino-3-deacetoxycephalosporanic Acid

    19. 3-methyl-7beta-aminoceph-3-em-4-carboxylic Acid

    20. 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid, 7-amino-3-methyl-8-oxo-, (6r,7r)-rel-

    21. 3-methyl-7-amino-delta(3)-cephem-4-carboxylic Acid

    22. 7-amino-3-methyl-delta(3)-cephem-4-carboxylic Acid

    23. 3-methyl-7beta-amino-delta(3)-cephem-4-carboxylic Acid

    24. 7beta-amino-3-methyl-delta(3)-cephem-4-carboxylic Acid

    25. Unii-anm3msm8tn

    26. Cefadroxil Related Compound B

    27. Einecs 244-870-1

    28. Ec 244-870-1

    29. Dsstox_cid_31476

    30. Dsstox_rid_97361

    31. Dsstox_gsid_57687

    32. Schembl6275649

    33. Chembl3182744

    34. Dtxsid4057687

    35. Zinc2169127

    36. Einecs 247-654-5

    37. Tox21_113804

    38. Mfcd00151456

    39. S5021

    40. 7-amino-desacetoxycephalosporanic Acid

    41. Akos016003050

    42. Cs-w014933

    43. Db14107

    44. Hy-w014217

    45. (6r,7r)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid

    46. (6r-trans)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid

    47. 7-aminodeacetoxycephalexanic Acid

    48. Ncgc00253680-01

    49. As-14611

    50. Cefradine Impurity A [ep Impurity]

    51. 7-aminodesacetoxycephalosporanic Acid, 98%

    52. Cas-22252-43-3

    53. Cefadroxil Impurity B [ep Impurity]

    54. 7-amino-3-methylcephalosporanic Acid

    55. Cefadroxil Related Compound B [usp-rs]

    56. O10144

    57. 7-amino-3-desacetoxycephalosporanic Acid

    58. 252a433

    59. 3-methyl-7-amino-delta3-cephem-4-carboxylic Acid

    60. A816060

    61. W-107490

    62. 7-amino-3-methyl-3-cephen-4-carboxylic Acid

    63. Cefadroxil Monohydrate Impurity B [ep Impurity]

    64. Q27133562

    65. (6r,7r)-7-amino-3-methylceph-3-em-4-carboxylic Acid

    66. 3-methyl-7-amino-.delta.3-cephem-4-carboxylic Acid

    67. 7-amino-3-methyl-.delta.3-cephan-4-carboxylic Acid

    68. 7-amino-3-methyl-.delta.3-cephem-4-carboxylic Acid

    69. 7.beta.-amino-3-methylceph-3-em-4-carboxylic Acid

    70. 7-.beta.-amino-3-methyl-3-cephem-4-carboxylic Acid

    71. 7-aminodesacetoxycephalosporanic Acid, European Pharmacopoeia (ep) Reference Standard

    72. Cefadroxil Related Compound B, United States Pharmacopeia (usp) Reference Standard

    73. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 7-amino-3-methyl-8-oxo-, (6r,7r)-

    2.4 Create Date
    2005-07-12
    3 Chemical and Physical Properties
    Molecular Weight 214.24 g/mol
    Molecular Formula C8H10N2O3S
    XLogP3-3.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass214.04121336 g/mol
    Monoisotopic Mass214.04121336 g/mol
    Topological Polar Surface Area109 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity353
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1