Protohemin Mono-3-(Imidazol-1-Yl)Propylamide Monomethyl Ester
[CAS# 72177-42-5]

Identification

• Name: Protohemin Mono-3-(Imidazol-1-Yl)Propylamide Monomethyl Ester
• Synonyms: Protohemin Mono-3-(Imidazol-1-Yl)Propylamide Monomethyl Ester; Chelated Protohaem
• Molecular Formula: C₄₁H₄₃ClFeN₇O₃
• Molecular Weight: 773.14
• CAS Registry Number: 72177-42-5
• SMILES: [N-]1C4=C(C(=C1C=C2N=C(C(=C2C=C)C)C=C3N=C(C(=C3C=C)C)C=C5[N-]C(=C4)C(=C5C)CCC(=O)NCCC[N]6C=NC=C6)C)CCC(OC)=O.[Cl-].[Fe+3]
• InChI: 1S/C41H44N7O3.ClH.Fe/c1-8-28-24(3)32-19-33-26(5)30(11-13-40(49)43-15-10-17-48-18-16-42-23-48)38(46-33)22-39-31(12-14-41(50)51-7)27(6)35(47-39)21-37-29(9-2)25(4)34(45-37)20-36(28)44-32;;/h8-9,16,18-23H,1-2,10-15,17H2,3-7H3,(H2-,43,44,45,46,47,49);1H;/q-1;;+3/p-2
• InChIKey: FLTBGCYMJSHEGY-UHFFFAOYSA-L

Properties

• Boiling point: 1202.2°C at 760 mmHg (Cal.)
• Flash point: 680.9°C (Cal.)