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Chemical structure of MitoPQ

GC44204

MitoPQ

Also known as 10-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]decyl-triphenylphosphanium triiodide

MitoPQ is comprised of a triphenylphosphonium lipophilic cation conjugated to the redox cycler paraquat

ChemicalCAS1821370-28-8MW954.5FormulaC39H46N2P • 3I
CAS number
1821370-28-8
Molecular weight
954.5
Formula
C39H46N2P • 3I
Solubility
10mM in ethanol or 100mM in DMSO
InChIKey
AOZZGHKENAZYTD-UHFFFAOYSA-K
Catalogue number
GC44204
Brand
GLPBIO
Computed properties PubChem CID 129909777 · TPSA 7.8 Ų · H-bond donors 0 · H-bond acceptors 3
TPSA
7.8 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
15
Heavy atoms
45

SMILES C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCCCCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-].[I-].[I-]

Computed descriptors from PubChem (CID 129909777), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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