protohemin

[1. Chloride of heme in which Fe2+ has become Fe3+. Hemin crystals are called Teichmann crystals, under crystal.2. Any coordination complex of chloro(porphyrinato)iron(III).

Molecular Formula: C₃₄H₃₂ClFeN₄O₄

InChI: InChI=1/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/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;/fC34H32N4O4.Cl.Fe/h39,41H;1h;/q-2;-1;m

InChIKey: InChIKey=BTIJJDXEELBZFS-MXZCRJNTDE
SMILES: CC1=C(CCC(O)=O)C2=CC3=[N]4C(=Cc5c(C)c(C=C)c6C=C7C(C)=C(C=C)C8=[N]7[Fe]4(Cl)(N2C1=C8)n56)C(C)=C3CCC(O)=O

CAS number 16009-13-5

Names:
    chloro(protoporphyrinato)iron(III)
    chloro[3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoato(2−)]iron(III)
    hemin
    Hämin
    protohemin

Registries:
    PubChem CID 5318002
    Beilstein =1236156
    Beilstein =4648025
    Beilstein =5717757
    Beilstein =953895
    CAS 16009-13-5 (from NIST)
    ChEBI 24493
    Gmelin 2373175
    PubChem ID 11057786