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Chemical structure of Hemin chloride

GC14591

Hemin chloride

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

Hemin chloride, a substrate of heme oxygenase (HO)-1, induces HO-1 expression on a variety of cells to exert anti-oxidant and anti-inflammatory roles

ChemicalCAS16009-13-5MW652FormulaC34H30ClFeN4O4 • 2H
CAS number
16009-13-5
Molecular weight
652
Formula
C34H30ClFeN4O4 • 2H
Solubility
17·33 mg/mL in DMSO,2·5 mg/mL in NH4OH,0·1 mg/mL in Water
InChIKey
BTIJJDXEELBZFS-UHFFFAOYSA-K
Catalogue number
GC14591
Brand
GLPBIO
Computed properties PubChem CID 455658 · TPSA 102 Ų · H-bond donors 2 · H-bond acceptors 9
TPSA
102 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
44

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]

Computed descriptors from PubChem (CID 455658), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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