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Chemical structure of Mito-apocynin (C2)

GC61069

Mito-apocynin (C2)

Also known as 2-[(4-hydroxy-3-methoxybenzoyl)amino]ethyl-triphenylphosphanium bromide

Mito-apocynin (C2), an orally active mitochondria-targeted triphenylphosphonium (TPP)-based compound, is synthesized by conjugating the Apocynin moiety with a TPP + cation

ChemicalCAS1254044-41-1MW536.4FormulaC28H27BrNO3P
CAS number
1254044-41-1
Molecular weight
536.4
Formula
C28H27BrNO3P
Solubility
DMSO: 100 mg/mL (186·43 mM)
InChIKey
VCBKDUGPZYICTB-UHFFFAOYSA-N
Catalogue number
GC61069
Brand
GLPBIO
Computed properties PubChem CID 49802132 · TPSA 58.6 Ų · H-bond donors 2 · H-bond acceptors 4
TPSA
58.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
34

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

Computed descriptors from PubChem (CID 49802132), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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