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Chemical structure of N-Desmethyl Netupitant

GC33563

N-Desmethyl Netupitant

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

N-desmethyl Netupitant is a metabolite of Netupitant, which is an antiemitic drug

ChemicalCAS290296-72-9MW564.57FormulaC29H30F6N4O
CAS number
290296-72-9
Molecular weight
564.57
Formula
C29H30F6N4O
Solubility
Soluble in DMSO
InChIKey
SRVSDBHUBFLSFE-UHFFFAOYSA-N
Catalogue number
GC33563
Brand
GLPBIO
Computed properties PubChem CID 9915918 · XLogP 6.3 · TPSA 48.5 Ų · H-bond donors 1
XLogP
6.3
TPSA
48.5 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
40

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)N4CCNCC4

Computed descriptors from PubChem (CID 9915918), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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