Flunixin meglumine (Q4846)

From Chemical Compounds of Interest
Revision as of 18:58, 1 August 2024 by Egonw (talk | contribs) (‎Created claim: part of (P21): AOP-Wiki Prototypical Stressors (Q4761), #quickstatements; #temporary_batch_1722538560686)
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chemical compound
Language Label Description Also known as
English
Flunixin meglumine
chemical compound

    Statements

    SMILES
    CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)O)C(F)(F)F.CNC[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O
    0 references
    chemical formula
    C₂₁H₂₈F₃N₃O₇
    1 reference
    based on heuristic
    inferred from SMILES
    InChI
    InChI=1S/C14H11F3N2O2.C7H17NO5/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12;1-8-2-4(10)6(12)7(13)5(11)3-9/h2-7H,1H3,(H,18,19)(H,20,21);4-13H,2-3H2,1H3/t;4-,5+,6+,7-/m.0/s1
    1 reference
    based on heuristic
    inferred from SMILES
    AOP-Wiki Stressor ID
    190
    0 references
     
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