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    Penethamate Hydriodide

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: 808-71-9, Ephicillin hydriodide, Alivin, Benzylpenicillin diethylaminoethyl ester hydroiodide, Ga14as9qok, Benzylpenicillin beta-diethylaminoethyl ester hydriodide
    Molecular Formula
    C22H32IN3O4S
    Molecular Weight
    561.5  g/mol
    InChI Key
    XWRCFDRXQPRCCO-FLQNVMKHSA-N
    FDA UNII
    GA14AS9QOK
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(diethylamino)ethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydroiodide
    2.1.2 InChI
    InChI=1S/C22H31N3O4S.HI/c1-5-24(6-2)12-13-29-21(28)18-22(3,4)30-20-17(19(27)25(18)20)23-16(26)14-15-10-8-7-9-11-15;/h7-11,17-18,20H,5-6,12-14H2,1-4H3,(H,23,26);1H/t17-,18+,20-;/m1./s1
    2.1.3 InChI Key
    XWRCFDRXQPRCCO-FLQNVMKHSA-N
    2.1.4 Canonical SMILES
    CCN(CC)CCOC(=O)C1C(SC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)(C)C.I
    2.1.5 Isomeric SMILES
    CCN(CC)CCOC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)(C)C.I
    2.2 Other Identifiers
    2.2.1 UNII
    GA14AS9QOK
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Benzylpenicillin-diethylaminoethyl Ester Hydroiodide

    2. Leocillin

    3. Mamyzin

    4. Penethamate

    5. Penethamate Hydroiodide

    6. Penethamate Hydroiodide, Monohydrochloride

    7. Penethamathydrojodid

    8. Penicillin G 2-(diethylamino)ethyl Ester Hydroiodide

    2.3.2 Depositor-Supplied Synonyms

    1. 808-71-9

    2. Ephicillin Hydriodide

    3. Alivin

    4. Benzylpenicillin Diethylaminoethyl Ester Hydroiodide

    5. Ga14as9qok

    6. Benzylpenicillin Beta-diethylaminoethyl Ester Hydriodide

    7. Bronchocillin

    8. Penethamate Hydroiodide

    9. 2-(diethylamino)ethyl (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydroiodide

    10. Diethyl(2-(6-(2-phenylacetamido)penicillanoyloxy)ethyl)ammonium Iodide

    11. Bronchopen

    12. Penethacillin

    13. Broncopen

    14. Eficillin

    15. Estopen

    16. Leocillin

    17. Neopenil

    18. 2-diethylaminoethyl (6r)-6-(2-phenylacetamido)penicillanate Hydriodide

    19. Pulmaxil N

    20. Neo-penil

    21. Hydrogen 2-(diethylamino)ethyl (2s,5r,6r)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Iodide

    22. Penethamate (hydriodide)

    23. Pulmo 500

    24. Unii-ga14as9qok

    25. Einecs 212-367-6

    26. Diethylaminoethyl Ester Penicillin Hydriodide

    27. Penicillin G Diethylaminoethyl Ester Hydriodide

    28. Schembl34137

    29. Beta-diethylaminoethyl Benzylpenicillinate Hydriodide

    30. Penicillin, 2-(diethylamino)ethyl Ester, Hydriodide

    31. Penicillin G, 2-(diethylamino)ethyl Ester, Hydriodide

    32. Chembl2105292

    33. Xwrcfdrxqprcco-flqnvmkhsa-n

    34. Dtxsid701001537

    35. Penethamate Hydriodide [mi]

    36. Akos030528623

    37. Penethamate Hydriodide [mart.]

    38. Es-2025

    39. Penethamate Hydriodide [who-dd]

    40. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)- (2s-(2alpha,5alpha,6beta))-, 2-(diethylamino)ethyl Ester, Monohydriodide

    41. A9493

    42. Diethylaminoethyl Ester Penicillin G Hydriodide

    43. Q27278988

    44. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-, (2s,5r,6r)-, 2-(diethylamino)ethyl Ester, Monohydriodide

    45. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, 2-(diethylamino)ethyl Ester, Monohydriodide

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 561.5 g/mol
    Molecular Formula C22H32IN3O4S
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count10
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area104
    Heavy Atom Count31
    Formal Charge0
    Complexity646
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2