Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00506)
Name	Palonosetron
Synonyms	Click to Show/Hide the Synonyms of This API Palonosetron; 135729-61-2; Palonosetron [INN]; UNII-5D06587D6R; Aloxi (TN); PALONOSETRON HCl; CHEBI:85161; Palonosetron (INN); 2-(1-Azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benz(de)isoquinolin-1-one; 2-Qhbiqo; 5D06587D6R; (-)-Palonosetron; (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; (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one; 149653-99-6; Palonosetronum; Palonosetron; Aloxi; SCHEMBL3746; (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; GTPL7486; CHEMBL1189679; DTXSID5048342; SCHEMBL13391549; HMS3886A22; BCP07225; HY-A0018; ZINC3795819; ABP001085; BDBM50417287; MFCD07783848; AKOS015967749; AKOS025311243; CS-0385; DB00377; NCGC00271490-05; (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one; AS-35217; D07175; W-5359; AB00698542-05; AB00698542_07; 653P996; Q-100993; Z2216208607; (S)-2-((S)-quinuclidin-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.; (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-(1-azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-, (S-(R,R))-
Clinical Status	Approved
Disease Indication	Functional nausea/vomiting		ICD-11: DD90	[1]
PubChem CID	6337614
Formula	C19H24N2O
Canonical SMILES	C1C[C@@H]2CN(C(=O)C3=CC=CC(=C23)C1)[C@@H]4CN5CCC4CC5
InChI	1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1
InChIKey	CPZBLNMUGSZIPR-NVXWUHKLSA-N
	Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure	<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=6337614"></iframe>
Structure	3D MOL		2D MOL
Physicochemical Properties	Molecular Weight	296.4	Topological Polar Surface Area	23.6
	XlogP	2.8	Complexity	456
	Heavy Atom Count	22	Rotatable Bond Count	1
	Hydrogen Bond Donor Count	0	Hydrogen Bond Acceptor Count	2

Full List of Drug Formulations (DFMs) Containing This API
Palonosetron 0.5 mg capsule			Click to Show/Hide the Full List of Formulation(s): 1 Formulation(s)
Drug Formulation 1	DFM Info click to show the detail info of this DFM
All DIGs	Click to Show/Hide the Full List of DIGs in This DFM Butylated hydroxyanisole; Glycerin; Water; Caprylic/capric mono/diglycerides; Polyglyceryl-3 dioleate
Dosage Form	Oral Capsule
Company	Eisai
DIG(s) with Biological Activity
	DIG Name	DIG Info	Representative Biological Activity of This DIG	REF
	Butylhydroxyanisole	DIG Info	Prostaglandin G/H synthase 2 (IC50 = 2.6 uM)	[2]

References
1	FDA label for approved palonosetron from the official website of the U.S. Food and Drug Administration.
2	The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.

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