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    Chemistry

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    Also known as: Chlorohemin, Hemin chloride, 16009-13-5, Protoferriheme, Ferriheme, Haemin
    Molecular Formula
    C34H32ClFeN4O4
    Molecular Weight
    651.9  g/mol
    InChI Key
    BTIJJDXEELBZFS-UHFFFAOYSA-K
    FDA UNII
    743LRP9S7N
    Hemin
    Chloro(7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N(21),N(22),N(23),N(24)) ferrate(2-) dihydrogen.
    1 2D Structure

    Hemin

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(3+);chloride
    2.1.2 InChI
    InChI=1S/C34H34N4O4.ClH.Fe/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;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3
    2.1.3 InChI Key
    BTIJJDXEELBZFS-UHFFFAOYSA-K
    2.1.4 Canonical SMILES
    CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.[Cl-].[Fe+3]
    2.2 Other Identifiers
    2.2.1 UNII
    743LRP9S7N
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Alkaline Hematin D 575

    2. Alkaline Hematin D-575

    3. Chloride, Ferriheme

    4. Chloride, Ferriprotoporphyrin Ix

    5. Chlorohemin

    6. Ferrihaem

    7. Ferriheme Chloride

    8. Ferriprotoporphyrin

    9. Ferriprotoporphyrin Ix

    10. Ferriprotoporphyrin Ix Chloride

    11. Hematin

    12. Hematin D-575, Alkaline

    13. Hemin

    14. Protohemin

    15. Protohemin Ix

    2.3.2 Depositor-Supplied Synonyms

    1. Chlorohemin

    2. Hemin Chloride

    3. 16009-13-5

    4. Protoferriheme

    5. Ferriheme

    6. Haemin

    7. Ferriprotoporphyrin Ix

    8. Ferriprotoporphyrin Chloride

    9. Protohemin

    10. Ferriprotoporphyrin

    11. Chloroprotohemin

    12. Hemin Ix

    13. Ferriporphyrin Chloride

    14. Unii-743lrp9s7n

    15. Hemine

    16. Hamin

    17. Hemin Porcine

    18. Ferriprotoporphyrin Ix Chloride

    19. Hemin [vandf]

    20. Hemin [jan]

    21. Hemin [who-dd]

    22. Hemin [mi]

    23. 743lrp9s7n

    24. Mfcd00010726

    25. Akos025146500

    26. Akos032949889

    27. Nsc-122707

    28. Hemin (ferriprotoporphyrin Ix Chloride)

    29. Ferrate(2-), Chloro[7,12-diethenyl-3,8,13,17-tetramethyl-21h,23h-porphine-2,18-dipropanoato(4-)-.kappa.n21,.kappa.n22,.kappa.n23,.kappa.n24]-, Dihydrogen, (sp-5-13)-

    30. Ft-0626882

    31. H0008

    32. Q425165

    33. Hemin Chloride Is Known As An Oxidized Form Of Heme.

    34. 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic Acid;iron(3+);chloride

    35. Ferrate(2-), Chloro(7,12-diethenyl-3,8,13,17-tetramethyl-21h,23h-porphine-2,18-dipropanoato(4-)-n21,n22,n23,n24)-, Dihydrogen

    2.4 Create Date
    2005-08-01
    3 Chemical and Physical Properties
    Molecular Weight 651.9 g/mol
    Molecular Formula C34H32ClFeN4O4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count8
    Exact Mass651.146144 g/mol
    Monoisotopic Mass651.146144 g/mol
    Topological Polar Surface Area102 Ų
    Heavy Atom Count44
    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 Count3

    API Reference Price

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