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Chemical structure of Tezacaftor-d4

GC73522

Tezacaftor-d4

Also known as 2,2,3,3-tetradeuterio-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide

Tezacaftor-d4 (VX-661-d4) is the deuterium-labeled Tezacaftor , a F508del CFTR corrector

ChemicalCAS1961280-24-9MW524.52FormulaC26H23D4F3N2O6
CAS number
1961280-24-9
Molecular weight
524.52
Formula
C26H23D4F3N2O6
Solubility
DMSO ： 50 mg/mL (95·33 mM; Need ultrasonic); DMSO ： 50 mg/mL (95·33 mM; Need ultrasonic)
InChIKey
MJUVRTYWUMPBTR-YKSUQDSQSA-N
Catalogue number
GC73522
Brand
GLPBIO
Computed properties PubChem CID 168006956 · XLogP 2.9 · TPSA 113 Ų · H-bond donors 4
XLogP
2.9
TPSA
113 Ų
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
37

SMILES [2H]C1(C(C1(C2=CC3=C(C=C2)OC(O3)(F)F)C(=O)NC4=C(C=C5C(=C4)C=C(N5C[C@H](CO)O)C(C)(C)CO)F)([2H])[2H])[2H]

Computed descriptors from PubChem (CID 168006956), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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