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Chemical structure of Netupitant N-Oxide

GC33548

Netupitant N-Oxide

Also listed as Netupitant metabolite Netupitant N-oxide (Netupitant N-oxide)

Netupitant N-oxide is the metabolite of Netupitant, which is a highly selective NK1 receptor antagonist

ChemicalCAS910808-11-6MW594.59FormulaC30H32F6N4O2
CAS number
910808-11-6
Molecular weight
594.59
Formula
C30H32F6N4O2
Solubility
Soluble in DMSO
InChIKey
FKUOVQVMCOPBJS-UHFFFAOYSA-N
Catalogue number
GC33548
Brand
GLPBIO
Computed properties PubChem CID 11848838 · XLogP 6.2 · TPSA 54.5 Ų · H-bond donors 0
XLogP
6.2
TPSA
54.5 Ų
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
42

SMILES CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CC[N+](CC4)(C)[O-]

Computed descriptors from PubChem (CID 11848838), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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