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    Protoporphyrin IX Dimethyl Ester

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 4,843Xls

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    2D Structure
    Also known as: 5522-66-7, Protoporphyrin dimethyl ester, Protoporphyrin ix dimethylester, Protoporphyrin ix, dimethyl ester, 6164-53-0, Methyl 3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
    Molecular Formula
    C36H38N4O4
    Molecular Weight
    590.7  g/mol
    InChI Key
    LQBPATQBTSBIIH-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
    2.1.2 InChI
    InChI=1S/C36H38N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h9-10,15-18,37-38H,1-2,11-14H2,3-8H3
    2.1.3 InChI Key
    LQBPATQBTSBIIH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)C=C
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Dimethyl Protoporphyrin Ix

    2. Protoporphyrin Dimethyl Ester

    2.2.2 Depositor-Supplied Synonyms

    1. 5522-66-7

    2. Protoporphyrin Dimethyl Ester

    3. Protoporphyrin Ix Dimethylester

    4. Protoporphyrin Ix, Dimethyl Ester

    5. 6164-53-0

    6. Methyl 3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate

    7. Nsc19666

    8. Dimethylprotoporphyrin Ix Dimethyl Ester

    9. Dimethyl 7,12-diethenyl-3,8,13,17-tetramethyl-21h,23h-porphine-2,18-dipropanoate

    10. Dimethyl 8,13-divinyl-3,7,12,17-tetramethyl-21h,23h-porphine-2,18-dipropionate

    11. 21h,23h-porphine-2,18-dipropanoic Acid, 7,12-diethenyl-3,8,13,17-tetramethyl-, 2,18-dimethyl Ester

    12. Ooporpyhrin Dimethyl Ester

    13. Chembl12467

    14. Schembl498561

    15. Protoporphyrin Ix,dimethyl Ester

    16. Schembl13879285

    17. Dtxsid40889376

    18. Chebi:169553

    19. Stl578324

    20. Akos037645469

    21. Cs-w009596

    22. As-60933

    23. Db-053957

    24. Ft-0636011

    25. Protoporphyrin Ix Dimethyl Ester, ~90% (hplc)

    26. A870251

    27. W-105577

    28. 2, 3,7,12,17-tetramethyl-8,13-divinyl-, Dimethyl Ester

    29. 2,7,13,17-tetramethyl-3,18-divinyl-8,12-bis[2-(methoxycarbonyl)ethyl]-21h,23h-porphyrin

    30. 21h,18-dipropanoic Acid, 7,12-diethenyl-3,8,13,17-tetramethyl-, Dimethyl Ester

    31. Dimethyl 3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate

    32. Dimethyl 7,12-diethenyl-3,8,13,17-tetramethyl-21h,23h-porphine-2,18-dipropanoic Acid

    33. Dimethyl-8,13-bi8(vinyl)-3,7,12,17-tetramethyl-21h,23h-porphine-2,18-dipropionate

    34. Dimethyl-8,13-bi8(vinyl)-3,7,12,17-tetramethyl-21h,23hporphine-2,18-dipropionate

    35. 2,7,12,18-tetramethyl-3,8-divinyl-21h,23h-porphyrin-13,17-bis(propanoic Acid Methyl) Ester

    36. 3,7,12,17-tetramethyl-8,13-divinyl-21h,23h-porphyrin-2,18-bis(propionic Acid Methyl) Ester

    37. 7,12-diethenyl-3,8,13,17-tetramethyl-21h,23h-porphine-2,18-dipropanoic Acid, Dimethyl Ester

    38. Methyl 3-[(1z,4z,9z,15z)-18-(3-methoxy-3-oxo-propyl)-3,7,12,17-tetramethyl-8,13-divinyl-21,23-dihydroporphyrin-2-yl]propanoate

    39. Methyl 3-[10,15-diethenyl-20-(3-methoxy-3-oxopropyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1?,?.1?,??.1??,??]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]propanoate

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 590.7 g/mol
    Molecular Formula C36H38N4O4
    XLogP35.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count10
    Exact Mass590.28930571 g/mol
    Monoisotopic Mass590.28930571 g/mol
    Topological Polar Surface Area110 Ų
    Heavy Atom Count44
    Formal Charge0
    Complexity1040
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1