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    Penicillin V Benzathine

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
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    2D Structure
    Also known as: Benzathine penicillin v, Benzathine phenoxymethylpenicillin, Penicillin v benzathine [usan:usp], 3t4emh59zu, (2s,5r,6r)-3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid compound with n,n'-dibenzylethylenediamine (2:1), Biphecillin
    Molecular Formula
    C48H56N6O10S2
    Molecular Weight
    941.1  g/mol
    InChI Key
    BBTOYUUSUQNIIY-ANPZCEIESA-N
    FDA UNII
    3T4EMH59ZU
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N,N'-dibenzylethane-1,2-diamine;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/2C16H18N2O5S.C16H20N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2/t2*11-,12+,14-;/m11./s1
    2.1.3 InChI Key
    BBTOYUUSUQNIIY-ANPZCEIESA-N
    2.1.4 Canonical SMILES
    CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
    2.1.5 Isomeric SMILES
    CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
    2.2 Other Identifiers
    2.2.1 UNII
    3T4EMH59ZU
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Benzathine Penicillin V

    2. Bicillin-5

    2.3.2 Depositor-Supplied Synonyms

    1. Benzathine Penicillin V

    2. Benzathine Phenoxymethylpenicillin

    3. Penicillin V Benzathine [usan:usp]

    4. 3t4emh59zu

    5. (2s,5r,6r)-3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid Compound With N,n'-dibenzylethylenediamine (2:1)

    6. Biphecillin

    7. Bicillin V

    8. Bicillin-5

    9. V-pen Ped Forte

    10. Penicillin V Benzathine [usan]

    11. Einecs 227-667-2

    12. Unii-3t4emh59zu

    13. Schembl418029

    14. Penicillin V Benzathine (usp)

    15. Chembl1396177

    16. Dtxsid80207999

    17. Ncgc00017051-01

    18. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 3,3-dimethyl-7-oxo-6-((2-phenoxyacetyl)amino)-, (2s-(2alpha,5alpha,6beta))-, Compd. With N,n'-bis(phenylmethyl)-1,2-ethanediamine (2:1)

    19. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-, Compd. With N,n'-dibenzylethylenediamine (2:1)

    20. Benzathine Phenoxymethyl Penicillin

    21. N,n'-dibenzylethylenediammonium (2s-(2alpha,5alpha,6beta))-bis(3,3-dimethyl-7-oxo-6-((phenoxyacetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate)

    22. Penicillin Benzathine Phenoxymethyl

    23. Cas-5928-84-7

    24. Penicillin V Benzathine [usp Impurity]

    25. D02405

    26. 690p573

    27. Benzathine Phenoxymethylpenicillin [mart.]

    28. Phenoxymethylpenicillin Benzathine [who-dd]

    29. Q4890751

    30. Penicillin V Compd With Dibenzylethylenediamine

    31. Penicillin V Compd With Dibenzylethylenediamine [mi]

    32. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 3,3-dimethyl-7-oxo-6-((2-phenoxyacetyl)amino)-, (2s,5r,6r)-, Compd. With N1,n2-bis(phenylmethyl)-1,2-ethanediamine (2:1)

    33. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 3,3-dimethyl-7-oxo-6-((2-phenoxyacetyl)amino)-, (2s-(2.alpha.,5.alpha.,6.beta.))-, Compd. With N,n'-bis(phenylmethyl)-1,2-ethanediamine (2:1)

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 941.1 g/mol
    Molecular Formula C48H56N6O10S2
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count17
    Exact Mass940.34993435 g/mol
    Monoisotopic Mass940.34993435 g/mol
    Topological Polar Surface Area267 Ų
    Heavy Atom Count66
    Formal Charge0
    Complexity718
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 ATC Code

    J - Antiinfectives for systemic use

    J01 - Antibacterials for systemic use

    J01C - Beta-lactam antibacterials, penicillins

    J01CE - Beta-lactamase sensitive penicillins

    J01CE10 - Benzathine phenoxymethylpenicillin