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    Hematoporphyrin Dihydrochloride

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: 17696-69-4, Haematoporphyrin dihydrochloride, Hematoporphyrin (dihydrochloride), 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride, Apiabasilon, Vitamorell
    Molecular Formula
    C34H40Cl2N4O6
    Molecular Weight
    671.6  g/mol
    InChI Key
    WZQQOXSHARXAID-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride
    2.1.2 InChI
    InChI=1S/C34H38N4O6.2ClH/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27;;/h11-14,19-20,37-40H,7-10H2,1-6H3,(H,41,42)(H,43,44);2*1H
    2.1.3 InChI Key
    WZQQOXSHARXAID-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)O.Cl.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 17696-69-4

    2. Haematoporphyrin Dihydrochloride

    3. Hematoporphyrin (dihydrochloride)

    4. 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic Acid;dihydrochloride

    5. Apiabasilon

    6. Vitamorell

    7. Ematoporfirina

    8. Ematoporfirina [italian]

    9. 21h,23h-porphine-2,18-dipropanoic Acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, Dihydrochloride

    10. Hematoporphyrin Hcl

    11. O535a6s0t2

    12. Hematoporphyrin Dichydrochloride

    13. 21h,23h-porphine-2,18-dipropanoic Acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, Hydrochloride (1:2)

    14. Einecs 241-699-4

    15. Mfcd00013470

    16. Unii-o535a6s0t2

    17. 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-2,18-porphinedipropionic Acid 2hcl

    18. Acido 1,3,5,8-tetrametil-2,4-bis(idrossietil)porpfina-6,7-dipropionico Dicloridrato

    19. Spectrum700024

    20. 21h,23h-porphine-2,18-propanoic Acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, 2hcl

    21. Schembl498346

    22. Schembl498777

    23. Chembl1319648

    24. Hy-b0754a

    25. Ccg-38689

    26. Akos015911627

    27. Cs-5467

    28. Ncgc00095869-01

    29. Ncgc00095869-02

    30. Ncgc00095869-03

    31. 2,18-porphinedipropionic Acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, Dihydrochloride

    32. Hematoporphyrin Dihcl Cas 17696-69-4

    33. Ft-0626880

    34. H-1450

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 671.6 g/mol
    Molecular Formula C34H40Cl2N4O6
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count8
    Exact Mass670.2324904 g/mol
    Monoisotopic Mass670.2324904 g/mol
    Topological Polar Surface Area172 Ų
    Heavy Atom Count46
    Formal Charge0
    Complexity1020
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3