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Ioxaglate Meglumine

Ioxaglate Meglumine

API0231734

Ioxaglate Meglumine

Ioversol is a contrast agent.

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  • CAS No.

    59018-13-2

  • Synonyms

    IOXAGLATE MEGLUMINE; MEGLUMINE IOXAGLATE; 59018-13-2

  • CHEMBL ID

    CHEMBL1200508

  • Compound CID

    20055342

  • Molecular Weight (g/mol)

    1464.1

  • Molecular Formula

    C31H38I6N6O13

  • InChI

    InChI=1S/C24H21I6N5O8.C7H17NO5/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43;1-8-2-4(10)6(12)7(13)5(11)3-9/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1

  • InChIKey

    HUHDYASLFWQVOL-WZTVWXICSA-N

  • SMILES

    CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)I)C(=O)NC)I.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

  • IUPAC Name

    3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

  • Exact Mass (Da)

    1463.6765

  • Monoisotopic Mass (Da)

    1463.6765

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