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Chemical structure of Posenacaftor sodium

GC62522

Posenacaftor sodium

Also known as sodium 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[(1R)-1-(oxan-4-yl)ethoxy]quinoline-4-carboxylate

Posenacaftor (PTI-801) sodium is a cystic fibrosis transmembrane regulator (CFTR) protein modulator that corrects the folding and trafficking of?CFTR?protein

ChemicalCAS2095064-06-3MW467.49FormulaC27H26NNaO5
CAS number
2095064-06-3
Molecular weight
467.49
Formula
C27H26NNaO5
Solubility
DMSO ： 200 mg/mL (427·82 mM; Need ultrasonic)
InChIKey
FIMNRWQYZVDFTK-UNTBIKODSA-M
Catalogue number
GC62522
Brand
GLPBIO
Computed properties PubChem CID 135350953 · TPSA 84.6 Ų · H-bond donors 0 · H-bond acceptors 6
TPSA
84.6 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
34

SMILES CC1=C2C(=C(C=C1)O[C@H](C)C3CCOCC3)C(=CC(=N2)C4=C(C5=CC=CC=C5O4)C)C(=O)[O-].[Na+]

Computed descriptors from PubChem (CID 135350953), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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