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    Protoporphyrin Ix

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    PharmaCompass
    $ API Ref.Price (USD/KG) : 9,331Xls

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    2D Structure
    Also known as: Protoporphyrin, 553-12-8, Ooporphyrin, Protoporpyrin ix, Porphyrinogen ix, Protoporphyrin ix disodium
    Molecular Formula
    C34H34N4O4
    Molecular Weight
    562.7  g/mol
    InChI Key
    ZCFFYALKHPIRKJ-UHFFFAOYSA-N
    FDA UNII
    C2K325S808
    Protoporphyrin IX is a metabolite found in or produced by Saccharomyces cerevisiae.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
    2.1.2 InChI
    InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)
    2.1.3 InChI Key
    ZCFFYALKHPIRKJ-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)O)C)C(=C3C)CCC(=O)O)C=C
    2.2 Other Identifiers
    2.2.1 UNII
    C2K325S808
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ppix

    2. Protoporphyrin

    3. Protoporphyrin Ix Dihydride

    4. Protoporphyrin Ix, Disodium Salt

    2.3.2 Depositor-Supplied Synonyms

    1. Protoporphyrin

    2. 553-12-8

    3. Ooporphyrin

    4. Protoporpyrin Ix

    5. Porphyrinogen Ix

    6. Protoporphyrin Ix Disodium

    7. Kammerer's Prophyrin

    8. Ppix

    9. H2ppix

    10. Kammerer's Porphyrin

    11. Mls001074731

    12. 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic Acid

    13. Chebi:15430

    14. Nsc2632

    15. Nsc-2632

    16. 3,7,12,17-tetramethyl-8,13-divinyl-2,18-porphinedipropionic Acid

    17. Smr000127405

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

    19. Chembl267548

    20. 3,3'-(3,7,12,17-tetramethyl-8,13-divinylporphine-2,18-diyl)di(propionic Acid)

    21. Protoporphyrin Ix Containing Fe

    22. C2k325s808

    23. 2,18-porphinedipropionic Acid, 3,8,13,17-tetramethyl-7,12-divinyl-

    24. 21h,23h-porphine-2,18-dipropanoic Acid,7,12-diethenyl-3,8,13,17-tetramethyl-

    25. 3,3'-(3,7,12,17-tetramethyl-8,13-divinyl-21h,23h-porphine-2,18-diyl)-bis-propionic Acid

    26. Protoporphyrinix

    27. 3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoic Acid

    28. 7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-dipropanoic Acid

    29. 3,3'-(3,8,13,17-tetramethyl-7,12-divinylporphyrin-2,18-diyl)dipropionic Acid

    30. Sr-01000076084

    31. Nsc 2632

    32. Einecs 209-033-7

    33. Protoporphyrin-9

    34. Unii-c2k325s808

    35. Heme-b

    36. Protoporphyrin-"ix"

    37. Spectrum_001300

    38. Hem

    39. Spectrum2_001016

    40. Spectrum3_001440

    41. Spectrum4_000419

    42. Spectrum5_001303

    43. Cid_4971

    44. Lopac0_000973

    45. Schembl25719

    46. Bspbio_003180

    47. Kbiogr_000718

    48. Kbioss_001780

    49. Protoporphyrin Ix, >=95%

    50. Divk1c_000074

    51. Schembl805850

    52. Spectrum1501111

    53. Spbio_001171

    54. Protoporphyrin Ix [mi]

    55. Schembl3287054

    56. Protoporphyrin [who-dd]

    57. Chembl1325592

    58. Chembl1618319

    59. Chembl1907972

    60. Chembl1907974

    61. Chembl4463327

    62. Dtxsid4048353

    63. Schembl14552654

    64. Bdbm51757

    65. Hms500d16

    66. Kbio1_000074

    67. Kbio2_001780

    68. Kbio2_004348

    69. Kbio2_006916

    70. Kbio3_002400

    71. Ninds_000074

    72. Hms1921f05

    73. Hms2271b12

    74. Hms3263c07

    75. Pharmakon1600-01501111

    76. Hy-b1247

    77. Tox21_500973

    78. Bdbm50523755

    79. Ccg-39673

    80. Mfcd00151109

    81. Nsc757839

    82. Cs-4849

    83. Db02285

    84. Lp00973

    85. Nsc-757839

    86. Sdccgmls-0066712.p001

    87. Sdccgsbi-0050946.p004

    88. Idi1_000074

    89. Ncgc00015844-01

    90. Ncgc00015844-02

    91. Ncgc00015844-03

    92. Ncgc00015844-04

    93. Ncgc00015844-05

    94. Ncgc00015844-07

    95. Ncgc00015844-08

    96. Ncgc00015844-12

    97. Ncgc00094273-01

    98. Ncgc00094273-02

    99. Ncgc00094273-03

    100. Ncgc00162303-01

    101. Ncgc00185010-01

    102. Ncgc00261658-01

    103. As-17461

    104. Sbi-0050946.p003

    105. Eu-0100973

    106. Ft-0696783

    107. Protoporphyrin Ix [mesh: Protoporphyrin Ix]

    108. J1.756.122g

    109. 2, 3,8,13,17-tetramethyl-7,12-divinyl-

    110. C02191

    111. C75594

    112. P 8293

    113. Ab00052204_02

    114. 553p128

    115. A870226

    116. Q619815

    117. Sr-01000763747

    118. Sr-01000076084-1

    119. Sr-01000076084-4

    120. Sr-01000076084-5

    121. Sr-01000763747-3

    122. Brd-k26813314-001-04-4

    123. 1,3,5,8-tetramethyl-2,4-divinylporphine-6,7-dipropionate

    124. 21h,18-dipropanoic Acid, 7,12-diethenyl-3,8,13,17-tetramethyl-

    125. 3,3'-(3,7,12,17-tetramethyl-8,13-divinylporphine-2,18-diyl)di

    126. 2,18-porphinedipropionic Acid, 3,8,13,17-tetramethyl-7,12-divinyl- (8ci)

    127. 3,3'-(3,7,12,17-tetramethyl-8,13-divinyl-21h,23h-porphine-2,18-diyl)-bis-propionate

    128. 3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic Acid

    129. 8,13-divinyl-3,7,12,17-tetramethyl-21h,23h-porphyrin-2,18-bispropanoic Acid

    130. 3-[(1z,4z,9z,15z)-18-(2-carboxy-ethyl)-3,7,12,17-tetramethyl-8,13-divinyl-porphyrin-2-yl]-propionic Acid

    131. 3-[(1z,4z,9z,15z)-18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8,13-divinyl-21,23-dihydroporphyrin-2-yl]propanoic Acid

    132. 3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8,13-divinyl-22,23-dihydroporphin-2-yl]propionic Acid

    133. 3-[8,13-bis(ethenyl)-18-(3-hydroxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic Acid

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 562.7 g/mol
    Molecular Formula C34H34N4O4
    XLogP34.6
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass562.25800558 g/mol
    Monoisotopic Mass562.25800558 g/mol
    Topological Polar Surface Area132 Ų
    Heavy Atom Count42
    Formal Charge0
    Complexity1010
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Photosensitizing Agents

    Drugs that are pharmacologically inactive but when exposed to ultraviolet radiation or sunlight are converted to their active metabolite to produce a beneficial reaction affecting the diseased tissue. These compounds can be administered topically or systemically and have been used therapeutically to treat psoriasis and various types of neoplasms. (See all compounds classified as Photosensitizing Agents.)