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Chemical structure of Mito-apocynin (C11)

GC61068

Mito-apocynin (C11)

Also known as 11-(4-hydroxy-3-methoxybenzoyl)oxyundecyl-triphenylphosphanium bromide

Mito-apocynin (C11), an orally active mitochondria-targeted triphenylphosphonium (TPP)-based compound, is synthesized by conjugating the Apocynin moiety with a TPP+ cation

ChemicalCAS1254044-38-6MW663.62FormulaC37H44BrO4P
CAS number
1254044-38-6
Molecular weight
663.62
Formula
C37H44BrO4P
Solubility
DMSO: 100 mg/mL (150·69 mM)
InChIKey
VWMXQDPFRLJGQR-UHFFFAOYSA-N
Catalogue number
GC61068
Brand
GLPBIO
Computed properties PubChem CID 49802417 · TPSA 55.8 Ų · H-bond donors 1 · H-bond acceptors 5
TPSA
55.8 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
18
Heavy atoms
43

SMILES COC1=C(C=CC(=C1)C(=O)OCCCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O.[Br-]

Computed descriptors from PubChem (CID 49802417), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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