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MitoPQ

CAT: 0957-E1252-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E1252-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1821370-28-8
Synonyms
MitoParaquat
Target
Mitochondrial Metabolism
Applications
Metabolism
Molecular Formula
C39H46N2P.3I
Additionnal Information
MitoPQ (MitoParaquat), a mitochondria-targeted redox cycler, enables the selective generation of superoxide within mitochondria and is a useful tool to investigate the many roles of mitochondrial superoxide in pathology and redox signaling in cells and in vivo.
Storage Conditions
3 years -20°C powder

Chemical Information

MitoPQ
CAS Number1821370-28-8
PubChem CID129909777
IUPAC Name10-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]decyl-triphenylphosphanium triiodide
Molecular FormulaC39H46I3N2P
Molecular Weight954.5
Topological Polar Surface Area7.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Heavy Atom Count45
Formal Charge0
Complexity646
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-]
InChI
InChI=1S/C39H46N2P.3HI/c1-40-30-25-35(26-31-40)36-27-32-41(33-28-36)29-17-6-4-2-3-5-7-18-34-42(37-19-11-8-12-20-37,38-21-13-9-14-22-38)39-23-15-10-16-24-39;;;/h8-16,19-28,30-33H,2-7,17-18,29,34H2,1H3;3*1H/q+3;;;/p-3
InChIKey
AOZZGHKENAZYTD-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of MitoPQ
CAS: 1821370-28-8
CID: 129909777
Formula: C39H46I3N2P
MW: 954.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight954.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Exact Mass954.0533
Monoisotopic Mass954.0533
Topological Polar Surface Area7.8 Ų
Heavy Atom Count45
Formal Charge0
Complexity646
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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