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    Also known as: 874819-74-6, Toceranib (phosphate), Toceranib phosphate [usan], Pha-291639e, 24f9pf7j3r, (z)-5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-n-(2-(pyrrolidin-1-yl)ethyl)-1h-pyrrole-3-carboxamide phosphate
    Molecular Formula
    C22H28FN4O6P
    Molecular Weight
    494.5  g/mol
    InChI Key
    AOORBROPMMRREB-HBPAQXCTSA-N
    FDA UNII
    24F9PF7J3R
    Toceranib Phosphate
    1 2D Structure

    Toceranib Phosphate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;phosphoric acid
    2.1.2 InChI
    InChI=1S/C22H25FN4O2.H3O4P/c1-13-19(12-17-16-11-15(23)5-6-18(16)26-21(17)28)25-14(2)20(13)22(29)24-7-10-27-8-3-4-9-27;1-5(2,3)4/h5-6,11-12,25H,3-4,7-10H2,1-2H3,(H,24,29)(H,26,28);(H3,1,2,3,4)/b17-12-;
    2.1.3 InChI Key
    AOORBROPMMRREB-HBPAQXCTSA-N
    2.1.4 Canonical SMILES
    CC1=C(NC(=C1C(=O)NCCN2CCCC2)C)C=C3C4=C(C=CC(=C4)F)NC3=O.OP(=O)(O)O
    2.1.5 Isomeric SMILES
    CC1=C(NC(=C1C(=O)NCCN2CCCC2)C)/C=C\3/C4=C(C=CC(=C4)F)NC3=O.OP(=O)(O)O
    2.2 Other Identifiers
    2.2.1 UNII
    24F9PF7J3R
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Palladia

    2. Su 11654

    3. Su-11654

    4. Su11654

    2.3.2 Depositor-Supplied Synonyms

    1. 874819-74-6

    2. Toceranib (phosphate)

    3. Toceranib Phosphate [usan]

    4. Pha-291639e

    5. 24f9pf7j3r

    6. (z)-5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-n-(2-(pyrrolidin-1-yl)ethyl)-1h-pyrrole-3-carboxamide Phosphate

    7. Su11654

    8. 5-[(z)-(5-fluoro-2-oxo-1h-indol-3-ylidene)methyl]-2,4-dimethyl-n-(2-pyrrolidin-1-ylethyl)-1h-pyrrole-3-carboxamide;phosphoric Acid

    9. Toceranib Phosphate (usan)

    10. Su 11654

    11. Su-11654

    12. Pha291639

    13. Unii-24f9pf7j3r

    14. Su11654 Phosphate

    15. Pha 291639 Phosphate

    16. Chembl2103833

    17. Toceranib Phosphate [mi]

    18. Toceranib Phosphate(su 11654)

    19. Hy-10330a

    20. Mfcd25372034

    21. S5272

    22. Akos037645104

    23. Ccg-269649

    24. Cs-1231

    25. Toceranib Phosphate [green Book]

    26. As-57142

    27. Bt162330

    28. D08544

    29. Q27253845

    30. (z)-5-((5-fluoro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl)-2,4-dimethyl-n-(2-pyrrolidin-1-ylethyl)-1h-pyrrole-3-carboxamide Phosphate

    31. 1h-pyrrole-3-carboxamide, 5-((z)-(5-fluoro-1,2-dihydro-2-oxo-3h-indol-3-ylidene)methyl)-2,4-dimethyl-n-(2-(1-pyrrolidinyl)ethyl)-, Phosphate (1:1)

    32. 5-((z)-(5-fluoro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl)-2,4-dimethyl-n-(2-(pyrrolidin-1-yl)ethyl)-1h-pyrrole-3-carboxamide Phosphate (1:1)

    2.4 Create Date
    2007-04-09
    3 Chemical and Physical Properties
    Molecular Weight 494.5 g/mol
    Molecular Formula C22H28FN4O6P
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count5
    Exact Mass494.17304979 g/mol
    Monoisotopic Mass494.17304979 g/mol
    Topological Polar Surface Area155 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity713
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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