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Chemical structure of Vornorexant

GC64826

Vornorexant

Also known as [(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

Vornorexant (ORN-0829; TS-142) is a potent dual OX1R and OX2R antagonist with IC50 values of 1·05 nM and 1·27 nM, respectively

ChemicalCAS1517965-94-4MW447.46FormulaC23H22FN7O2
CAS number
1517965-94-4
Molecular weight
447.46
Formula
C23H22FN7O2
Solubility
DMSO ： ≥ 100 mg/mL (223·48 mM)
InChIKey
AEZZJXJIJFSUEM-QFIPXVFZSA-N
Catalogue number
GC64826
Brand
GLPBIO
Computed properties PubChem CID 137419776 · XLogP 2.5 · TPSA 91 Ų · H-bond donors 0
XLogP
2.5
TPSA
91 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
33

SMILES CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3CCCO[C@H]3CN4C=CC(=N4)C5=NC=C(C=C5)F

Computed descriptors from PubChem (CID 137419776), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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