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Chemical structure of Mn(II) protoporphyrin IX

GC70766

Mn(II) protoporphyrin IX

Also known as 3-[18-(2-carboxylatoethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;manganese(2+)

Mn(II) protoporphyrin IX is a potential intravenous paramagnetic magnetic resonance contrast agent

ChemicalCAS21393-64-6MW615.58FormulaC34H32MnN4O4
CAS number
21393-64-6
Molecular weight
615.58
Formula
C34H32MnN4O4
InChIKey
SBXNMKFZHGWYBY-UHFFFAOYSA-L
Catalogue number
GC70766
Brand
GLPBIO
Computed properties PubChem CID 159910 · TPSA 108 Ų · H-bond donors 2 · H-bond acceptors 8
TPSA
108 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
43

SMILES [H+].[H+].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-].[Mn+2]

Computed descriptors from PubChem (CID 159910), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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