Palonosetron N-oxide

C₁₉H₂₄N₂O₂CAS 813425-83-1312.41 g/mol

Open in Covalent MOL file

Amide Lactam Quaternary ammonium

Properties

Molecular formula: C₁₉H₂₄N₂O₂
Molar mass: 312.41 g/mol
Exact mass: 312.1838 Da
logP: 2.67Crippen estimate
Polar surface area: 43.4 Å²
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. Search the SDS library

Identifiers

CAS number

813425-83-1

SMILES

C1C[C@@H]2CN(C(=O)C3=CC=CC(=C23)C1)[C@@H]4C[N+]5(CCC4CC5)[O-]

InChIKey

IQQIWUDYGYXXEA-BGAFOXLKSA-N

InChI

InChI=1S/C19H24N2O2/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-20(19)17-12-21(23)9-7-13(17)8-10-21/h2,4,6,13,15,17H,1,3,5,7-12H2/t13?,15-,17-,21?/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Palonosetron N-oxide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Palonosetron135729-61-266 % similar Palonosetron hydrochloride135729-62-363 % similar (R,S)-Palonosetron hydrochloride135755-51-063 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Praziquantel55268-74-1

Elsewhere

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