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  • 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic Acid

  • 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic Acid

    Catalog Number
    ACM60239181
    CAS Number
    60239-18-1
    Product Name
    1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic Acid
    Structure
    Category
    Macrocycles; Supramolecular Host Materials
    Synonyms
    J-650232; AJ-80871; MFCD00068657; CHEBI:61028; LS-187777; CS-0046228; 2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid; ZINC22059268; BCP13075; 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic Acid Europium;
    IUPAC Name
    2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;
    Molecular Weight
    404.42g/mol
    Molecular Formula
    C16H28N4O8;
    Canonical SMILES
    C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O;
    InChI
    InChI=1S/C16H28N4O8/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/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);
    InChI Key
    WDLRUFUQRNWCPK-UHFFFAOYSA-N;
    Application
    Bifunctional DOTA aconjugates to peptides and has become an established strategy for constructing target-specific metal containing agents including targeted MRI contrast agents and diagnostic and ther

    apeutic radiopharmaceuticals.
    Complexity
    447
    Covalently-Bonded Unit Count
    1
    EC Number
    611-959-5
    Exact Mass
    404.191g/mol
    Heavy Atom Count
    28
    Monoisotopic Mass
    404.191g/mol
    NSC Number
    681107
    Rotatable Bond Count
    8
    Topological Polar Surface Area
    162A^2
    UNII
    1HTE449DGZ
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