(R,S)-Palonosetron hydrochloride

C₁₉H₂₅ClN₂OCAS 135755-51-0332.87 g/mol

Open in Covalent MOL file

Amide Lactam Tertiary amine

Properties

Molecular formula: C₁₉H₂₅ClN₂O
Molar mass: 332.87 g/mol
Exact mass: 332.1655 Da
logP: 3.08Crippen estimate
Polar surface area: 23.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1
Stereocentres: R, Sin SMILES atom order

Identifiers

CAS number

135755-51-0

SMILES

C1C[C@H]2CN(C(=O)C3=CC=CC(=C23)C1)[C@@H]4CN5CCC4CC5.Cl

InChIKey

OLDRWYVIKMSFFB-KPVRICSOSA-N

InChI

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+;/m0./s1

Weigh it out

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

Names and synonyms

1 names

Palonosetron hydrochloride, (3aR)-

Work with (R,S)-Palonosetron hydrochloride

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

Palonosetron135729-61-294 % similar Solifenacin242478-37-132 % similar

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

Same formula

Palonosetron hydrochloride135729-62-3 Triprolidine hydrochloride monohydrate6138-79-0

Elsewhere

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