Netupitant and palonosetron
(3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one;2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[6-(4-methylpiperazin-1-yl)-4-[(3Z)-penta-1,3-dien-3-yl]-3-pyridinyl]propanamide
Molecular Identity
Netupitant and palonosetron
(3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one;2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[6-(4-methylpiperazin-1-yl)-4-[(3Z)-penta-1,3-dien-3-yl]-3-pyridinyl]propanamide
PubChem CID: 78759283
2D Structure
Properties
C47H56F6N6O2
Molecular Formula
851.00
Molecular Weight
g/mol
850.4369
Exact Mass
Da
63.2
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
12
H-Bond Acceptors
1330
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(9)
Netupitant and palonosetronNetupitant / palonosetronNetupitant/palonosetronNetupitant; palonosetronRefChem:60560NETUPITANT;PALONOSETRONAkynzeoQBADKJRRVGKRHP-JLXQGRKUSA-NS900006640
Data from PubChem (NCBI)
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