Deuteroferriheme
[CAS# 21007-21-6]

Identification

• Name: Deuteroferriheme
• Synonyms: Ferrate(2-), Chloro(3,7,12,17-Tetramethyl-21H,23H-Porphine-2,18-Dipropanoato(4-)-N21,N22,N23,N24)-, Dihydrogen, (Sp-5-13)-; Deuterohemin
• Molecular Formula: C₃₀H₂₈ClFeN₄O₄
• Molecular Weight: 599.88
• CAS Registry Number: 21007-21-6
• SMILES: [N-]2C3=CC5=NC(=CC1=CC(=C([N-]1)C=C4N=C(C=C2C(=C3CCC([O-])=O)C)C(=C4)C)C)C(=C5CCC([O-])=O)C.[H+].[H+].[Cl-].[Fe+3]
• InChI: 1S/C30H30N4O4.ClH.Fe/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20;;/h9-14H,5-8H2,1-4H3,(H4,31,32,33,34,35,36,37,38);1H;/q;;+3/p-3
• InChIKey: MITFTGOXJCCKJD-UHFFFAOYSA-K