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    Chemistry

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    Also known as: Magnescope, Meglumine gadoterate (jan), Gadoterate meglumine (usan), Gadoterate meglumine [usan], Meglumine gadoterate [jan], Magnescope (tn)
    Molecular Formula
    C23H42GdN5O13
    Molecular Weight
    753.9  g/mol
    InChI Key
    RYHQMKVRYNEBNJ-BMWGJIJESA-K
    FDA UNII
    L0ND3981AG
    Gadoterate Meglumine
    1 2D Structure

    Gadoterate Meglumine

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[4,7-bis(carboxylatomethyl)-10-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+);(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
    2.1.2 InChI
    InChI=1S/C16H28N4O8.C7H17NO5.Gd/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26;1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);4-13H,2-3H2,1H3;/q;;+3/p-3/t;4-,5+,6+,7+;/m.0./s1
    2.1.3 InChI Key
    RYHQMKVRYNEBNJ-BMWGJIJESA-K
    2.1.4 Canonical SMILES
    CNCC(C(C(C(CO)O)O)O)O.C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]
    2.1.5 Isomeric SMILES
    CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]
    2.2 Other Identifiers
    2.2.1 UNII
    L0ND3981AG
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Gadoterate Meglumine

    2.3.2 Depositor-Supplied Synonyms

    1. Magnescope

    2. Meglumine Gadoterate (jan)

    3. Gadoterate Meglumine (usan)

    4. Gadoterate Meglumine [usan]

    5. Meglumine Gadoterate [jan]

    6. Magnescope (tn)

    7. Dotarem (tn)

    8. Schembl20420633

    9. Gadoterate Meglumine [vandf]

    10. Gadoterate Meglumine [usp-rs]

    11. Meglumine Gadoterate [who-dd]

    12. Ek-5504

    13. Gadoterate Meglumine [orange Book]

    14. P449

    15. P-449

    16. D03355

    17. Q27144071

    18. 2-[4,7-bis(carboxylatomethyl)-10-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+);(2r,3r,4r,5s)-6-(methylamino)hexane-1,2,3,4,5-pentol

    19. D-glucitol, 1-deoxy-1-(methylamino)-, (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-.kappa.n1,.kappa.n4,.kappa.n7,.kappa.n10,.kappa.o1,.kappa.o4,.kappa.o7,.kappa.o10)gadolinate(1-) (1:1)

    2.4 Create Date
    2006-07-28
    3 Chemical and Physical Properties
    Molecular Weight 753.9 g/mol
    Molecular Formula C23H42GdN5O13
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count18
    Rotatable Bond Count11
    Exact Mass754.20202 g/mol
    Monoisotopic Mass754.20202 g/mol
    Topological Polar Surface Area284 Ų
    Heavy Atom Count42
    Formal Charge0
    Complexity644
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 2  
    Drug NameDotarem
    PubMed HealthGadoterate (Injection)
    Drug ClassesDiagnostic Agent, Radiopharmaceutical Imaging
    Drug LabelDOTAREM (gadoterate meglumine) is a paramagnetic macrocyclic ionic contrast agent administered for magnetic resonance imaging. The chemical name for gadoterate meglumine is D-glucitol, 1-deoxy-1-(methylamino)-,[1,4,7,10-tetraazacyclododecane-1,4,7,10...
    Active IngredientGadoterate meglumine
    Dosage FormSolution
    RouteIntravenous
    Strength5.6535gm/15ml (376.9mg/ml); 3.769gm/10ml (376.9mg/ml); 37.69gm/100ml (376.9mg/ml); 7.538gm/20ml (376.9mg/ml)
    Market StatusPrescription
    CompanyGuerbet

    2 of 2  
    Drug NameDotarem
    PubMed HealthGadoterate (Injection)
    Drug ClassesDiagnostic Agent, Radiopharmaceutical Imaging
    Drug LabelDOTAREM (gadoterate meglumine) is a paramagnetic macrocyclic ionic contrast agent administered for magnetic resonance imaging. The chemical name for gadoterate meglumine is D-glucitol, 1-deoxy-1-(methylamino)-,[1,4,7,10-tetraazacyclododecane-1,4,7,10...
    Active IngredientGadoterate meglumine
    Dosage FormSolution
    RouteIntravenous
    Strength5.6535gm/15ml (376.9mg/ml); 3.769gm/10ml (376.9mg/ml); 37.69gm/100ml (376.9mg/ml); 7.538gm/20ml (376.9mg/ml)
    Market StatusPrescription
    CompanyGuerbet

    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.)

    API Reference Price

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    31-May-2024
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