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Shandong Boyuan Pharmaceutical Pemetrxed Dipotassium Shandong Boyuan Pharmaceutical Pemetrxed Dipotassium

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    Technical details about Pemetrexed Dipotassium, learn more about the structure, uses, toxicity, action, side effects and more

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    Pemetrexed Dipotassium

    APIs // Active Pharmaceutical Ingredients

    DOSSIERs // Finished Dosage Forms

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    2D Structure
    1. Also known as: Z9slp4ow0y, 1438895-00-1, L-glutamic acid, n-(4-(2-(2-amino-4,7-dihydro-4-oxo-3h-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)-, potassium salt (1:2), Unii-z9slp4ow0y, Schembl15649196
    Molecular Formula
    C20H19K2N5O6
    Molecular Weight
    503.6  g/mol
    InChI Key
    YQABXEMTTPRASZ-GXKRWWSZSA-L
    FDA UNII
    Z9SLP4OW0Y
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    dipotassium;(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate
    2.1.2 InChI
    InChI=1S/C20H21N5O6.2K/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;/q;2*+1/p-2/t13-;;/m0../s1
    2.1.3 InChI Key
    YQABXEMTTPRASZ-GXKRWWSZSA-L
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[K+].[K+]
    2.1.5 Isomeric SMILES
    C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[K+].[K+]
    2.2 Other Identifiers
    2.2.1 UNII
    Z9SLP4OW0Y
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Z9slp4ow0y

    2. 1438895-00-1

    3. L-glutamic Acid, N-(4-(2-(2-amino-4,7-dihydro-4-oxo-3h-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)-, Potassium Salt (1:2)

    4. Unii-z9slp4ow0y

    5. Schembl15649196

    2.4 Create Date
    2019-01-23
    3 Chemical and Physical Properties
    Molecular Weight 503.6 g/mol
    Molecular Formula C20H19K2N5O6
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count7
    Exact Mass503.0609463 g/mol
    Monoisotopic Mass503.0609463 g/mol
    Topological Polar Surface Area193 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity737
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
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