Npc76529

Overview

IDCS-fe6a12901a85

CAS RN16009-13-5

Synonyms RefChem:1093269
Npc76529
hemin
Chlorohemin
16009-13-5
Panhematin
hemin chloride
Protoferriheme
MFCD00010726
Ferriprotoporphyrin chloride More…

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Identification

Molecular FormulaC34H32ClFeN4O4

Molecular Weight651.9 g/mol

CAS Number16009-13-5

IUPAC Name

3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(3+);chloride

CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.[Cl-].[Fe+3]

InChI=1S/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

BTIJJDXEELBZFS-UHFFFAOYSA-K