chempirical

Loratadine ketone

C20H23ClN2OCAS 130642-50-1342.87 g/mol

Open in Covalent MOL file
NONCl
Aryl halideKetoneTertiary amine

Properties

Molecular formula
C20H23ClN2O
Molar mass
342.87 g/mol
Exact mass
342.1499 Da
logP
4.04Crippen estimate
Polar surface area
33.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Identifiers

CAS number
130642-50-1
SMILES
CN1CCC(CC1)C(=O)C2=C(C=CC=N2)CCC3=CC(=CC=C3)Cl
InChIKey
YBWTYYOASANXND-UHFFFAOYSA-N
InChI
InChI=1S/C20H23ClN2O/c1-23-12-9-17(10-13-23)20(24)19-16(5-3-11-22-19)8-7-15-4-2-6-18(21)14-15/h2-6,11,14,17H,7-10,12-13H2,1H3

Weigh it out

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

Work with Loratadine ketone

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

N-Methyldesloratadine38092-89-650 % similar 3-[2-(3-Chlorophenyl)ethyl]-2-pyridinecarbonitrile31255-57-946 % similar 8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-B]pyridin-11-one31251-41-945 % similar Loratadine79794-75-540 % similar Lasmiditan439239-90-439 % similar Azatadine maleate3978-86-739 % similar Desloratadine100643-71-836 % similar Rupatadine158876-82-536 % similar

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

Same formula

8-Chloro-6,11-dihydro-11-(1-methyl-4-piperidinyl)-5H-benzo[5,6]cyclohepta[1,2-B]pyridin-11-ol38089-93-9

Elsewhere

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