Molecule
Name
Hemin
IUPAC name
Iron(3+) chloride 3,7-bis(2-carboxyethyl)-2,8,12,17-tetramethyl-13,18-divinylporphine-21,22-diide (1:1:1)
Secondary names
Chloro(protoporphyrinato)iron(III), Chlorohemin, Chloroprotoporphyrin IX iron(III), Ferriprotoporphyrin IX chloride, Hemin chloride, Protoferriheme, Ferriheme
InChI
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
InChI key
BTIJJDXEELBZFS-UHFFFAOYSA-K
CAS number
16009-13-5
Comments
protoporphyrin IX with Fe3+
Structure and atomic composition
Formula
C34H32O4N4ClFe
Chemical formula
C34H32O4N2(N-)2(Cl-)(Fe3+)
Structural formula
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]
Charge
0
Unpaired electrons
0
  Atom Name Number
C Carbon 34
H Hydrogen 32
O Oxygen 4
N Nitrogen 2
N− Nitrogen anion 2
Cl− Chloride anion 1
Fe3+ Iron(III) cation 1
Relations
  • no
Isotope mixture type
terrestrial abundance
Spin type
equilibrated
Molar mass
651.94 g/mol
State STP
solid
Protic
protic
Polarity
nonpolar
Molecule symmetry
no
Case
complex
Chemical functions
  Function Number
R=CH2 2
R−CH3 4
R−C(=O)−OH 2
Chemical bonds
  Bond Number
≥C−C≤ 2
⪖C−C≤ 8
⪖C−C⪕ 13
>C=C< 11
⪖C−N− 4
⪖C−N= 2
>C=N− 2
≥C−H 20
⪖C−H 10
>C=O 2
≥C−O− 2
−O−H 2
⋅⋅Fe3+⋅N−< 2
⋅⋅Fe3+⋅Cl− 1