Photodyn

Hematoporphyrins Iron-free derivatives of heme with 4 methyl groups, 2 hydroxyethyl groups and 2 propionic acid groups attached to the pyrrole rings. Some of these PHOTOSENSITIZING AGENTS are used in the PHOTOTHERAPY of malignant NEOPLASMS.

[1. Abbreviation for haptoglobin.

Molecular Formula: C₃₄H₃₈N₄O₆

InChI: InChI=1/C34H38N4O6/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)/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-/f/h41,43H

InChIKey: InChIKey=KFKRXESVMDBTNQ-FWYYUCNADU
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

Names:
    HEMATOPORPHYRIN
    Hematoporphyrin I
    HP
    NSC 59265
    NSC59265
    Photodyn
    1,3,5,8-Tetramethyl-2, 4-bis(.alpha.-hydroxyethyl)prophine-6,7-dipropionic acid
    14459-29-1
    2, 18-Porphinedipropionic acid, 7,12-bis (1-hydroxyethyl)-3,8,13, 17-tetramethyl- (VAN 8CI)
    21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis (1-hydroxyethyl)-3,8,13,17-tetramethyl-

Registries:
    PubChem CID 11103
    PubChem ID 107569