Palonosetron
Properties
- Molecular formula
- C19H24N2O
- Molar mass
- 296.41 g/mol
- Exact mass
- 296.1889 Da
- logP
- 2.66Crippen estimate
- Polar surface area
- 23.6 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
- Stereocentres
- S, Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
135729-61-2SMILES
O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2InChIKey
CPZBLNMUGSZIPR-NVXWUHKLSA-NInChI
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/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 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*)]-
- (3aS)-2-(3S)-1-Azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-1H-benz[de]isoquinolin-1-one
- (-)-Palonosetron
Work with Palonosetron
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue.