Compound: Palonosetron
SMILES: O=C1N([C@H]2C3CCN(C2)CC3)C[C@H]4CCCc5c4c1ccc5
InChIKey: CPZBLNMUGSZIPR-NVXWUHKLSA-N
Synonyms: Palonosetron, 135729-61-2, (-)-Palonosetron, 2-Qhbiqo, Palonosetronum, Palonosetron, (3as, 3s)-, (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one, 5D06587D6R, NSC-743769, CHEBI:85161, 2-(1-Azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benz(de)isoquinolin-1-one, (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one, 1H-Benz(de)isoquinolin-1-one, 2-(1-azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-, (S-(R*,R*))-, RS-25233-198, RS-25259-198, (3aS)-2-((3S)-1-azabicyclo(2.2.2)octan-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benzo(de)isoquinolin-1-one, (3aS)-2-((3S)-1-azabicyclo(2.2.2)octan-3-yl)-3a,4,5,6-tetrahydro-3H-benzo(de)isoquinolin-1-one, RS-25259, RefChem:56726, DTXCID6028317, A04AA05, RS25259, RS25233197, RS25233198, RS25259197, RS25259198, RS 25233197, RS 25233198, RS 25259197, RS 25259198, RS 25233 197, RS 25233 198, RS 25259 197, RS 25259 198, (5S)-3-((3S)-1-azabicyclo(2.2.2)octan-3-yl)-3-azatricyclo(7.3.1.0?,13)trideca-1(12),9(13),10-trien-2-one, 1H-Benz(de)isoquinolin-1-one, 2-((3S)-1-azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-, (3aS)-, DTXSID5048342, Aloxi, Palonosetron [INN], Aloxi (TN), MFCD07783848, Palonosetron (INN), (S)-2-((S)-quinuclidin-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one, (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one, UNII-5D06587D6R, Palonosetron; Aloxi, PALONOSETRON [MI], SCHEMBL3746, PALONOSETRON [VANDF], (S-(R*,R*))-2-(1-Azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benz(de)isoquinolin-1-one, PALONOSETRON [WHO-DD], GTPL7486, orb1704804, CHEMBL1189679, SCHEMBL13391549, CPZBLNMUGSZIPR-NVXWUHKLSA-N, GLXC-05581, HMS3886A22, HY-A0018, BDBM50417287, EBC-07664, s5740, AKOS015967749, AKOS025311243, CS-0385, DB00377, NSC 743769, Ritanine (fosrolapitant + palonosetron), NCGC00271490-05, AS-35217, DA-66465, D07175, EN300-220764, AB00698542-05, AB00698542_07, BRD-K08924299-003-06-1, Z2185274784, (3aS)-2-[(3S)-quinuclidin-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one, (5S)-3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azatricyclo[7.3.1.0,5,13]trideca-1(12),9(13),10-trien-2-one, 1021481-16-2, 1H-BENZ(DE)ISOQUINOLIN-1-ONE, 2-(3S)-1-AZABICYCLO(2.2.2)OCT-3-YL-2,3,3A,4,5,6-HEXAHYDRO-, (3AS)-, Palonosetron; 1H-Benz[de]isoquinolin-1-one, 2-(3S)-1-azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-, (3aS)-; 1H-Benz[de]isoquinolin-1-one, 2-(1-azabicyclo[2.2.2]oct-3-yl)-2,3,3a,4,5,6-hexahydro-, [S-(R*,R*)]-; (-)-Palonosetron; (3aS)-2-(3S)-1-Azabicyclo[2.2.2]oct-3-
Theoretical properties:
molecular_formula: C19H24N2O
molecular_weight: 296.4 g/mol
exact_mass: 296.188863393 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 22
topological_polar_surface_area: 23.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Palonosetron is an organic heterotricyclic compound that is an antiemetic used (as its hydrochloride salt) in combination with netupitant (under the trade name Akynzeo) to treat nausea and vomiting in patients undergoing cancer chemotherapy. It has a role as a serotonergic antagonist and an antiemetic. It is an organic heterotricyclic compound, an azabicycloalkane and a delta-lactam. It is a conjugate base of a palonosetron(1+).
chebi: An organic heterotricyclic compound that is an antiemetic used (as its hydrochloride salt) in combination with netupitant (under the trade name Akynzeo) to treat nausea and vomiting in patients undergoing cancer chemotherapy.
chembl: PALONOSETRON is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Palonosetron, sold under the brand name Aloxi, is a medication used for the prevention and treatment of chemotherapy-induced nausea and vomiting (CINV). It is a 5-HT3 antagonist.
Palonosetron is administered intravenously, or as a single oral capsule. It has a longer duration of action than  other 5-HT3 antagonists. The oral formulation was approved on in August 2008, for prevention of acute CINV alone, as a large clinical trial did not show oral administration to be as effective as intravenous use against delayed CINV. Palonosetron is a therapeutic alternative on the World Health Organization's List of Essential Medicines.
The oral combination netupitant/palonosetron is approved for both acute and delayed CINV.