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Chemical structure of Monohydroxy Netupitant

GC33559

Monohydroxy Netupitant

Also listed as Netupitant metabolite Monohydroxy Netupitant (Monohydroxy Netupitant)

Monohydroxy Netupitant is the metabolite of Netupitant, which is a highly selective NK1 receptor antagonist

ChemicalCAS910808-12-7MW594.59FormulaC30H32F6N4O2
CAS number
910808-12-7
Molecular weight
594.59
Formula
C30H32F6N4O2
Solubility
Soluble in DMSO
InChIKey
CUGOZHKFGSQBGD-UHFFFAOYSA-N
Catalogue number
GC33559
Brand
GLPBIO
Computed properties PubChem CID 11657239 · XLogP 5.5 · TPSA 59.9 Ų · H-bond donors 1
XLogP
5.5
TPSA
59.9 Ų
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
6
Heavy atoms
42

SMILES CC(C)(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)N(C)C2=CN=C(C=C2C3=CC=CC=C3CO)N4CCN(CC4)C

Computed descriptors from PubChem (CID 11657239), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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