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    CEFCAPENE PIVOXIL HYDROCHLORIDE HYDRATE

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 147816-24-8, Cefcapene pivoxil hydrochloride monohydrate, Cefcapene pivoxil hydrochloride hydrate, V16a6ayi9h, S 1108, Flomox
    Molecular Formula
    C23H32ClN5O9S2
    Molecular Weight
    622.1  g/mol
    InChI Key
    LUXIJPQYUCFVAL-XRLCNELCSA-N
    FDA UNII
    V16A6AYI9H
    Cefcapene Pivoxil Hydrochloride Hydrate is the hydrate hydrochloride salt form of cefcapene pivalate, a prodrug and third-generation cephalosporin with antibacterial activity. After oral administration of cefcapene pivoxil hydrochloride hydrate the ester bond is cleaved, releasing active cefcapene.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrate;hydrochloride
    2.1.2 InChI
    InChI=1S/C23H29N5O8S2.ClH.H2O/c1-5-6-12(13-9-38-21(24)26-13)16(29)27-14-17(30)28-15(11(7-34-22(25)33)8-37-18(14)28)19(31)35-10-36-20(32)23(2,3)4;;/h6,9,14,18H,5,7-8,10H2,1-4H3,(H2,24,26)(H2,25,33)(H,27,29);1H;1H2/b12-6-;;/t14-,18-;;/m1../s1
    2.1.3 InChI Key
    LUXIJPQYUCFVAL-XRLCNELCSA-N
    2.1.4 Canonical SMILES
    CCC=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C.O.Cl
    2.1.5 Isomeric SMILES
    CC/C=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C.O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    V16A6AYI9H
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 147816-24-8

    2. Cefcapene Pivoxil Hydrochloride Monohydrate

    3. Cefcapene Pivoxil Hydrochloride Hydrate

    4. V16a6ayi9h

    5. S 1108

    6. Flomox

    7. Cefcapene Pivoxil (hydrochloride Hydrate)

    8. 2,2-dimethylpropanoyloxymethyl (6r,7r)-7-[[(z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrate;hydrochloride

    9. S-1108

    10. Unii-v16a6ayi9h

    11. Flomox (tn)

    12. Cfpn-pi

    13. Cefcapene Pivoxil Hcl H2o

    14. Cefcapenepivoxil Hydrochloride

    15. Schembl4755909

    16. Chembl4303585

    17. J01dd17

    18. Bcp12048

    19. Ex-a4006

    20. Mfcd01682041

    21. S4844

    22. Akos025310133

    23. Ccg-270257

    24. Cs-w020762

    25. Hy-w040022

    26. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 3-(((aminocarbonyl)oxy)methyl)-7-((2-(2-amino-4-thiazolyl)-1-oxo-2-pentenyl)amino)-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl Ester,(6r-(6-alpha,7-beta(z)))-, Monohydrochloride, Hydrate

    27. As-65791

    28. Cefcapene Pivoxil Hydrochloride Hydrate (jp17)

    29. D01680

    30. 816c248

    31. Cefcapene Pivoxil Hydrochloride Hydrate [jan]

    32. Cefcapene Pivoxil Hydrochloride Hydrate [mi]

    33. J-700157

    34. Cefcapene Pivoxil Monohydrochloride Monohydrate

    35. Q27291405

    36. Cefcapene Pivoxil Hydrochloride Hydrate [who-dd]

    37. (6r,7r)-(pivaloyloxy)methyl 7-((z)-2-(2-aminothiazol-4-yl)pent-2-enamido)-3-((carbamoyloxy)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Hydrochloride Hydrate

    38. (6r,7r)-(pivaloyloxy)methyl7-((z)-2-(2-aminothiazol-4-yl)pent-2-enamido)-3-((carbamoyloxy)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylatehydrochloridehydrate

    39. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 3-(((aminocarbonyl)oxy)methyl)-7-(((2z)-2-(2-amino-4-thiazolyl)-1-oxo-2-penten-1-yl)amino)-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl Ester, Hydrochloride, Hydrate (1:1:1), (6r,7r)-

    40. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 3-(((aminocarbonyl)oxy)methyl)-7-((2-(2-amino-4-thiazolyl)-1-oxo-2- Pentenyl)amino)-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl Ester,(6r- (6-.alpha.,7-.beta.(z)))-, Monohydrochloride, Hydrate

    41. Pivaloyloxymethyl (+)-(6r,7r)-7-((z)-2-(2-amino-4-thiazolyl)-2-pentenamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid Carbamate Monohydrochloride Monohydrate

    2.4 Create Date
    2005-10-11
    3 Chemical and Physical Properties
    Molecular Weight 622.1 g/mol
    Molecular Formula C23H32ClN5O9S2
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count13
    Exact Mass621.1329977 g/mol
    Monoisotopic Mass621.1329977 g/mol
    Topological Polar Surface Area248 Ų
    Heavy Atom Count40
    Formal Charge0
    Complexity1060
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3