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Ferroheme

CAT: 0013-GTR19166988-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19166988-06Size:50 mg
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Description
Ferroheme
CAS Number
14875-96-8
Product Name Alternative
Heme, Ferroheme, protoheme
Field of Research
Immunology & Inflammation, Metabolism Research
Purity
97.63% (May vary between batches)
Solubility
DMSO:3.1 mg/mL (5.03 mM)
Smiles
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.[Fe+2]
Molecular Formula
C34H32FeN4O4
Molecular Weight
616.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hemin

Hemin (trade name Panhematin) is an iron-containing porphyrin. More specifically, it is protoporphyrin IX containing a ferric iron ion (heme B) with a chloride ligand.

CAS Number14875-96-8
PubChem CID26945
IUPAC Name3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(2+)
Molecular FormulaC34H32FeN4O4
Molecular Weight616.5
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count43
Formal Charge0
Complexity1010
SMILES
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.[Fe+2]
InChI
InChI=1S/C34H34N4O4.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);/q;+2/p-2
InChIKey
KABFMIBPWCXCRK-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Hemin
CAS: 14875-96-8
CID: 26945
Formula: C34H32FeN4O4
MW: 616.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight616.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass616.177291
Monoisotopic Mass616.177291
Topological Polar Surface Area102 Ų
Heavy Atom Count43
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T8948-01Ferroheme

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