loader
Please Wait
Applying Filters...

Euroapi Company Header Euroapi Company Header

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about Phenoxymethylpenicilline Benzathine Tetrahydrate, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    Phenoxymethylpenicilline Benzathine Tetrahydrate

    APIs // Active Pharmaceutical Ingredients

    DOSSIERs // Finished Dosage Forms

    GLOBAL SALES INFORMATION

    DIGITAL CONTENT

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 44mhh77oic, Hydrous phenoxymethylpenicillin benzathine, Benzathine phenoxymethylpenicillin tetrahydrate, Phenoxymethylpenicilline benzathine tetrahydrate, Unii-44mhh77oic, Q27258749
    Molecular Formula
    C48H72N6O18S2
    Molecular Weight
    1085.2  g/mol
    InChI Key
    DCRXCEXZTVLLCN-RJCPZQRPSA-N
    FDA UNII
    44MHH77OIC
    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;octahydrate
    2.1.2 InChI
    InChI=1S/2C16H18N2O5S.C16H20N2.8H2O/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;8*1H2/t2*11-,12+,14-;;;;;;;;;/m11........./s1
    2.1.3 InChI Key
    DCRXCEXZTVLLCN-RJCPZQRPSA-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.O.O.O.O.O.O.O.O
    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.O.O.O.O.O.O.O.O
    2.2 Other Identifiers
    2.2.1 UNII
    44MHH77OIC
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 44mhh77oic

    2. Hydrous Phenoxymethylpenicillin Benzathine

    3. Benzathine Phenoxymethylpenicillin Tetrahydrate

    4. Phenoxymethylpenicilline Benzathine Tetrahydrate

    5. Unii-44mhh77oic

    6. Q27258749

    7. Benzathine Phenoxymethylpenicillin Tetrahydrate [who-dd]

    8. 1,2-ethanediamine, N,n'-bis(phenylmethyl)-, Bis((2s-(2.alpha.,5.alpha.,6.beta.))-3,3-dimethyl-7-oxo-6-((phenoxyacetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate), Octahydrate

    9. 1,2-ethanediamine, N,n'-bis(phenylmethyl)-, Bis((2s-(2alpha,5alpha,6beta))-3,3-dimethyl-7-oxo-6-((phenoxyacetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate), Octahydrate

    10. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 3,3-dimethyl-7-oxo-6-((phenoxyacetyl)amino)-, (2s-(2.alpha.,5.alpha.,6.beta.)), Compd. With N,n'-bis(phenylmethyl)-1,2-ethanediamine (2:1), Octahydrate

    11. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 3,3-dimethyl-7-oxo-6-((phenoxyacetyl)amino)-, (2s-(2alpha,5alpha,6beta)), Compd. With N,n'-bis(phenylmethyl)-1,2-ethanediamine (2:1), Octahydrate

    2.4 Create Date
    2014-11-22
    3 Chemical and Physical Properties
    Molecular Weight 1085.2 g/mol
    Molecular Formula C48H72N6O18S2
    Hydrogen Bond Donor Count14
    Hydrogen Bond Acceptor Count22
    Rotatable Bond Count17
    Exact Mass1084.43445182 g/mol
    Monoisotopic Mass1084.43445182 g/mol
    Topological Polar Surface Area275 Ų
    Heavy Atom Count74
    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 Count11
    Post Enquiry
    POST ENQUIRY