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Hemin Chloride (Technical grade)

CAT: 0572-TRC-H245648-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H245648-1GSize:1 g
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CAS Number
16009-13-5
Synonyms
1,3,5,8-Tetramethyl-2,4-divinylporphine-6,7-dipropionic Acid ferrichloride Chloro[dihydrogen 3,7,12,17-Tetramethyl-8,13-divinyl-2,18-porphinedipropionato(2-)]iron; Chlorohemin; Chloroprotoferriheme; Chloroprotohemin; Ferric Hemin; Ferriheme; Ferriheme Chloride; Ferriporphyrin Chloride; Ferriprotoporphyrin; Ferriprotoporphyrin IX; Ferriprotoporphyrin IX Chloride; Hemin; Hemin IX; Hemin Chloride; Iron(III) Protoporphyrin Chloride; KJB 003; Panhematin; Protoferriheme; Protohemin; Protohemin Chloride; Teichmann's Crystals
Hazard Statement
No Data Available
Smiles
[Cl-][Fe+3]123N4=C5C=C6C(=C(C=C)C(=CC7=N1C(=CC8=C(CCC(=O)O)C(=C(C=C4C(=C5C=C)C)[N-]28)C)C(=C7C)CCC(=O)O)[N-]36)C
Molecular Formula
C34H32ClFeN4O4
Molecular Weight
651.94
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Npc76529

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 Number16009-13-5
PubChem CID455658
IUPAC Name3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(3+);chloride
Molecular FormulaC34H32ClFeN4O4
Molecular Weight651.9
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count44
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.[Cl-].[Fe+3]
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
InChIKey
BTIJJDXEELBZFS-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of Npc76529
CAS: 16009-13-5
CID: 455658
Formula: C34H32ClFeN4O4
MW: 651.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight651.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass651.146144
Monoisotopic Mass651.146144
Topological Polar Surface Area102 Ų
Heavy Atom Count44
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 Count3
Compound Is CanonicalizedYes

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