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    Also known as: 66163-79-9, Einecs 266-205-4, Einecs 268-528-6, Schembl4190569, Dtxsid10984640, (6r-trans)-3-(acetoxymethyl)-8-oxo-7-(2-(4-pyridylthio)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, compound with n,n'-dibenzylethylenediamine
    Molecular Formula
    C33H37N5O6S2
    Molecular Weight
    663.8  g/mol
    InChI Key
    JZLUDZCHWAMNDD-OALZAMAHSA-N
    Cephapirin Benzathine
    1 2D Structure

    Cephapirin Benzathine

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;N,N'-dibenzylethane-1,2-diamine
    2.1.2 InChI
    InChI=1S/C17H17N3O6S2.C16H20N2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);1-10,17-18H,11-14H2/t13-,16-;/m1./s1
    2.1.3 InChI Key
    JZLUDZCHWAMNDD-OALZAMAHSA-N
    2.1.4 Canonical SMILES
    CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
    2.1.5 Isomeric SMILES
    CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 66163-79-9

    2. Einecs 266-205-4

    3. Einecs 268-528-6

    4. Schembl4190569

    5. Dtxsid10984640

    6. (6r-trans)-3-(acetoxymethyl)-8-oxo-7-(2-(4-pyridylthio)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, Compound With N,n'-dibenzylethylenediamine

    7. 68121-47-1

    8. (6r-trans)-3-(acetoxymethyl)-8-oxo-7-(2-(4-pyridylthio)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, Compound With N,n'-bis(phenylmethyl)ethylenediamine (1:1)

    9. 3-[(acetyloxy)methyl]-7-({1-hydroxy-2-[(pyridin-4-yl)sulfanyl]ethylidene}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid--n~1~,n~2~-dibenzylethane-1,2-diamine (1/1)

    2.3 Create Date
    2006-04-29
    3 Chemical and Physical Properties
    Molecular Weight 663.8 g/mol
    Molecular Formula C33H37N5O6S2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count15
    Exact Mass663.21852626 g/mol
    Monoisotopic Mass663.21852626 g/mol
    Topological Polar Surface Area201 Ų
    Heavy Atom Count46
    Formal Charge0
    Complexity878
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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    ACS DOBFAR SPA

    Italy
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    Cephapirin Benzathine

    About the Company : We are a privately held Italian company founded in 1973. We are a fully integrated manufacturer of Cephalosporin, Carbapenem and Penicillin APIs as well as Finished Dosage Formula...

    We are a privately held Italian company founded in 1973. We are a fully integrated manufacturer of Cephalosporin, Carbapenem and Penicillin APIs as well as Finished Dosage Formulations (Solid and Injectable). We export our products to MORE than 100 countries all over the world. Our production sites, most of them regularly inspected by EUROPEN AND USA AUTHORITIES (FDA), have strict Quality Standards and our R&D Know-how make us a leading company. Our Commitment: to work in the present while concentrating on the future, because on markets where research and technology are factors of primary importance.
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    Aurobindo Pharma Limited

    India
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    India
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    Cephapirin Benzathine

    About the Company : Founded in 1986 by Mr. P.V. Ramaprasad Reddy, Mr. K. Nityananda Reddy and a small group of highly committed professionals, Aurobindo Pharma was born off a vision. The company comme...

    Founded in 1986 by Mr. P.V. Ramaprasad Reddy, Mr. K. Nityananda Reddy and a small group of highly committed professionals, Aurobindo Pharma was born off a vision. The company commenced operations in 1988-89 with a single unit manufacturing Semi-Synthetic Penicillin (SSP) at Pondicherry. Aurobindo Pharma became a public company in 1992 and listed its shares in the Indian stock exchanges in 1995. In addition to being the market leader in Semi-Synthetic Penicillins, it has a presence in key therapeutic segments such as neurosciences, cardiovascular, anti-retrovirals, anti-diabetics, gastroenterology and cephalosporins, among others.
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    Qilu Pharmaceutical

    China
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    Cephapirin Benzathine

    About the Company : Located in Jinan, Qilu Pharmaceutical is one of the leading pharmaceutical companies in China. It focuses on developing, manufacturing and marketing of generic drugs and active pha...

    Located in Jinan, Qilu Pharmaceutical is one of the leading pharmaceutical companies in China. It focuses on developing, manufacturing and marketing of generic drugs and active pharmaceutical ingredients in the therapeutic areas of Oncology, Cerebrovascular & Cardiovascular, Infections, Psychological and Neurological System, Respiratory System, Ophthalmological Diseases, etc. Always committing itself to meet the needs of the patients and the society. Qilu pharmaceutical provides high-quality products by adopting advanced technology. Qilu has 8000 employees , 5,000 of them have junior college or above educational backgrounp.
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    Tecoland Corporation

    U.S.A
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    Cephapirin Benzathine

    About the Company : Established in 2002, Tecoland represents selected cGMP manufacturers with proven capabilities in organic synthesis, fermentation production as well as process and method developmen...

    Established in 2002, Tecoland represents selected cGMP manufacturers with proven capabilities in organic synthesis, fermentation production as well as process and method development. Tecoland provides high quality APIs to the pharmaceutical industry, with reliable technical and regulatory support such as USDMF, CEP, EDMF that are critical to the speedy approval of our customers’ regulatory filings.
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