Palonosetron hydrochloride
Properties
- Molecular formula
- C19H25ClN2O
- Molar mass
- 332.87 g/mol
- Exact mass
- 332.1655 Da
- logP
- 3.08Crippen estimate
- Polar surface area
- 23.6 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
- Stereocentres
- S, Sin SMILES atom order
Hazards
Warning
- H302 Harmful if swallowed45.5% of notifiers
- H312 Harmful in contact with skin18.2% of notifiers
- H332 Harmful if inhaled36.4% of notifiers
- H351 Suspected of causing cancer18.2% of notifiers
Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, P501
Identifiers
CAS number
135729-62-3SMILES
Cl.O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2InChIKey
OLDRWYVIKMSFFB-SSPJITILSA-NInChI
InChI=1S/C19H24N2O.ClH/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;1H/t15-,17-;/m1./s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 1H-Benz[de]isoquinolin-1-one, 2-[(3S)-1-azabicyclo[2.2.2]oct-3-yl]-2,3,3a,4,5,6-hexahydro-, hydrochloride (1:1), (3aS)-
- 1H-Benz[de]isoquinolin-1-one, 2-(1-azabicyclo[2.2.2]oct-3-yl)-2,3,3a,4,5,6-hexahydro-, monohydrochloride, [S-(R*,R*)]-
- 1H-Benz[de]isoquinolin-1-one, 2-(3S)-1-azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-, monohydrochloride, (3aS)-
- RS 25259-197
- Aloxi
- Onicit
Work with Palonosetron hydrochloride
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.