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    Gadolinium Ethoxybenzyl Dtpa

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    2D Structure
    Also known as: Eovist, Gadoxate, Gadoxate disodium, Gadolinium ethoxybenzyl-dtpa, Moli000482, Q1928394
    Molecular Formula
    C23H33GdN3O11+3
    Molecular Weight
    684.8  g/mol
    InChI Key
    PCZHWPSNPWAQNF-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[2-[bis(carboxymethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;gadolinium(3+)
    2.1.2 InChI
    InChI=1S/C23H33N3O11.Gd/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32;/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);/q;+3
    2.1.3 InChI Key
    PCZHWPSNPWAQNF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC1=CC=C(C=C1)CC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.[Gd+3]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Disodium Gadoxetate

    2. Eovist

    3. Gadolinium (4s)-4-(4-ethoxybenzyl)-3,6,9-tris(carboxylatomethyl)-3,6,9-triazaundecanoic Acid Disodium Salt

    4. Gadolinium Ethoxybenzyl Diethylenetriaminepentaacetic Acid

    5. Gadolinium Ethoxybenzyl Dtpa

    6. Gadoxetate Disodium

    7. Gadoxetic Acid

    8. Gadoxetic Acid Disodium

    9. Gd-eob-dtpa

    2.2.2 Depositor-Supplied Synonyms

    1. Eovist

    2. Gadoxate

    3. Gadoxate Disodium

    4. Gadolinium Ethoxybenzyl-dtpa

    5. Moli000482

    6. Q1928394

    7. 2-[[2-[bis(carboxymethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic Acid;gadolinium(3+)

    8. Gadolinium-ethoxybenzyl-diethylenetriaminepentaacetic Acid, Disodium S-[4-(4-ethoxybenzyl)-3,6,9-tris[(carboxy-ko)methyl]-3,6,9-triazaundecandioato)(5-)-k3n3,n6,n9,k2o1,o11]gadolinite(2-)

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 684.8 g/mol
    Molecular Formula C23H33GdN3O11+3
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count20
    Exact Mass685.13562 g/mol
    Monoisotopic Mass685.13562 g/mol
    Topological Polar Surface Area205 Ų
    Heavy Atom Count38
    Formal Charge3
    Complexity739
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 2  
    Drug NameEovist
    PubMed HealthGadoxetate (Injection)
    Drug ClassesDiagnostic Agent
    Drug LabelEOVIST (gadoxetate disodium) is a paramagnetic contrast agent for MRI. EOVIST is provided as a sterile, clear, colorless to pale yellow aqueous solution for intravenous injection.EOVIST contains the active pharmaceutical ingredient gadoxetate disodiu...
    Active IngredientGadoxetate disodium
    Dosage FormSolution
    RouteIntravenous
    Strength1.8143gm/10ml (181.43mg/ml); 2.72145gm/15ml (181.43mg/ml)
    Market StatusPrescription
    CompanyBayer Hlthcare

    2 of 2  
    Drug NameEovist
    PubMed HealthGadoxetate (Injection)
    Drug ClassesDiagnostic Agent
    Drug LabelEOVIST (gadoxetate disodium) is a paramagnetic contrast agent for MRI. EOVIST is provided as a sterile, clear, colorless to pale yellow aqueous solution for intravenous injection.EOVIST contains the active pharmaceutical ingredient gadoxetate disodiu...
    Active IngredientGadoxetate disodium
    Dosage FormSolution
    RouteIntravenous
    Strength1.8143gm/10ml (181.43mg/ml); 2.72145gm/15ml (181.43mg/ml)
    Market StatusPrescription
    CompanyBayer Hlthcare

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Contrast Media

    Substances used to allow enhanced visualization of tissues. (See all compounds classified as Contrast Media.)