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    Chemistry

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    Also known as:
    Molecular Formula
    C20H21N5O6
    Molecular Weight
    427.4  g/mol
    InChI Key
    WBXPDJSOTKVWSJ-CYBMUJFWSA-N
    Pemetrexed
    1 2D Structure

    Pemetrexed

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid
    2.1.2 InChI
    InChI=1S/C20H21N5O6/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)/t13-/m1/s1
    2.1.3 InChI Key
    WBXPDJSOTKVWSJ-CYBMUJFWSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O
    2.1.5 Isomeric SMILES
    C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)N[C@H](CCC(=O)O)C(=O)O
    2.2 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 427.4 g/mol
    Molecular Formula C20H21N5O6
    XLogP30.2
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count9
    Exact Mass427.14918341 g/mol
    Monoisotopic Mass427.14918341 g/mol
    Topological Polar Surface Area187 A^2
    Heavy Atom Count31
    Formal Charge0
    Complexity748
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 2  
    Drug NameAlimta
    PubMed HealthPemetrexed (Injection)
    Drug ClassesAntineoplastic Agent
    Drug LabelPemetrexed disodium heptahydrate has the chemical name L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, disodium salt, heptahydrate. It is a white to almost-white solid with a molecular formula of C...
    Active IngredientPemetrexed; Pemetrexed disodium
    Dosage FormInjectable
    Routeinjection; Iv (infusion)
    Strengtheq 500mg base/vial; 500mg; eq 100mg base/vial
    Market StatusPrescription
    CompanyLilly

    2 of 2  
    Drug NameAlimta
    PubMed HealthPemetrexed (Injection)
    Drug ClassesAntineoplastic Agent
    Drug LabelPemetrexed disodium heptahydrate has the chemical name L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, disodium salt, heptahydrate. It is a white to almost-white solid with a molecular formula of C...
    Active IngredientPemetrexed; Pemetrexed disodium
    Dosage FormInjectable
    Routeinjection; Iv (infusion)
    Strengtheq 500mg base/vial; 500mg; eq 100mg base/vial
    Market StatusPrescription
    CompanyLilly

    API Reference Price

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    12-Jan-2021
    27-Aug-2024
    KGS
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