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    Cephalexin Hydrochloride

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    2D Structure
    Also known as: Cephalexin hcl, Keftab, 105879-42-3, Cefalexin hydrochloride, Ly061188, 6vje5g3d98
    Molecular Formula
    C16H20ClN3O5S
    Molecular Weight
    401.9  g/mol
    InChI Key
    YHJDZIQOCSDIQU-OEDJVVDHSA-N
    FDA UNII
    6VJE5G3D98
    A semisynthetic cephalosporin antibiotic with antimicrobial activity similar to that of CEPHALORIDINE or CEPHALOTHIN, but somewhat less potent. It is effective against both gram-positive and gram-negative organisms.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate;hydrochloride
    2.1.2 InChI
    InChI=1S/C16H17N3O4S.ClH.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H;1H2/t10-,11-,15-;;/m1../s1
    2.1.3 InChI Key
    YHJDZIQOCSDIQU-OEDJVVDHSA-N
    2.1.4 Canonical SMILES
    CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O.O.Cl
    2.1.5 Isomeric SMILES
    CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)O.O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    6VJE5G3D98
    2.3 Synonyms
    2.3.1 MeSH Synonyms

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

    2. Cefalexin

    3. Cephalexin

    4. Cephalexin Dihydride

    5. Cephalexin Hemihydrate

    6. Cephalexin Monohydrate

    7. Cephalexin Monohydrochloride

    8. Cephalexin Monohydrochloride, Monohydrate

    9. Cephalexin, (6r-(6alpha,7alpha(r*)))-isomer

    10. Cephalexin, (6r-(6alpha,7beta(s*)))-isomer

    11. Cephalexin, (6r-(6alpha,7beta))-isomer

    12. Cephalexin, Monosodium Salt

    13. Cephalexin, Monosodium Salt, (6r-(6alpha,7beta))-isomer

    14. Ceporexine

    15. Palitrex

    2.3.2 Depositor-Supplied Synonyms

    1. Cephalexin Hcl

    2. Keftab

    3. 105879-42-3

    4. Cefalexin Hydrochloride

    5. Ly061188

    6. 6vje5g3d98

    7. 7-(d-2-amino-2-phenylacetamido)-3-methyl-3-cephem-4-carboxylic Acid Hydrochloride Monohydrate

    8. Cephalexin (hydrochloride Monohydrate)

    9. (6r,7r)-7-((2r)-2-amino-2-phenylacetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, Monohydrochloride, Monohydrate

    10. Ly-061188

    11. Keftab (tn)

    12. (6r,7r)-7-[[(2r)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid;hydrate;hydrochloride

    13. Cephalexin Hydrochloride [usan]

    14. Unii-6vje5g3d98

    15. Cephalexin Hydrochloride [usan:usp]

    16. Schembl582342

    17. Cephalexin Hydrochloride Hydrate

    18. Cephalexin Hydrochloride (usp)

    19. Chembl1200366

    20. Hy-b0200c

    21. Dtxsid10909777

    22. Cefalexin Hydrochloride [mart.]

    23. Cephalexin Monohydrochloride Monohydrate

    24. Cefalexin Hydrochloride [who-dd]

    25. Cephalexin Hydrochloride [vandf]

    26. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 7-((aminophenylacetyl)amino)-3-methyl-8-oxo-, Monohydrochloride, Monohydrate, (6r-(6alpha,7beta(r*)))-

    27. Cefalexin Hydrochloride Monohydrate

    28. Cs-0088770

    29. Cephalexin Hydrochloride [orange Book]

    30. Cephalexin Hydrochloride [usp Monograph]

    31. D03438

    32. Cephalexin Monohydrochloride Monohydrate [mi]

    33. Q27265590

    34. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 7-((aminophenylacetyl)amino)-3-methyl-8-oxo-, Monohydrochloride, Monohydrate, (6r-(6.alpha.,7.beta.(r*)))-

    35. 7-[(2-amino-1-hydroxy-2-phenylethylidene)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid--hydrogen Chloride--water (1/1/1)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 401.9 g/mol
    Molecular Formula C16H20ClN3O5S
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count4
    Exact Mass401.0812196 g/mol
    Monoisotopic Mass401.0812196 g/mol
    Topological Polar Surface Area139 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity600
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    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.)