Hematin
[CAS# 14875-96-8]

Identification

• Name: Hematin
• Synonyms: Heme B; Protoheme Ix; Protoheme
• Molecular Formula: C₃₄H₄₂FeN₄O₄
• Molecular Weight: 626.58
• CAS Registry Number: 14875-96-8
• SMILES: [Fe+4]|2|4|5|[N-]1C6C(C(C1C=C3[N-]|2C(=C(C3C)CCC(O)=O)C=C8[N-]|4C(=CC7[N-]|5C(=C6)C(C7C=C)C)C(C8CCC(O)=O)C)C)C=C
• InChI: 1S/C34H42N4O4.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;/h7-8,13-22,24-25,29-30H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42);/q-4;+4
• InChIKey: GCMDQUJMSWYDHF-UHFFFAOYSA-N