chempirical

Omeprazole sulfone N-oxide

C17H19N3O5SCAS 158812-85-2377.42 g/mol

Open in Covalent MOL file
N+OSOONNHOO−
EtherSulfone

Properties

Molecular formula
C17H19N3O5S
Molar mass
377.42 g/mol
Exact mass
377.1045 Da
logP
1.80Crippen estimate
Polar surface area
108.2 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
5

Identifiers

CAS number
158812-85-2
SMILES
CC1=C[N+](=C(C(=C1OC)C)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC)[O-]
InChIKey
ZBGMHRIYIGAEGJ-UHFFFAOYSA-N
InChI
InChI=1S/C17H19N3O5S/c1-10-8-20(21)15(11(2)16(10)25-4)9-26(22,23)17-18-13-6-5-12(24-3)7-14(13)19-17/h5-8H,9H2,1-4H3,(H,18,19)

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Work with Omeprazole sulfone 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

Omeprazole sulfone88546-55-866 % similar 5-Methoxy-2-[((4-methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl)sulfinyl]-benzimidazole176219-04-865 % similar Esomeprazole sodium161796-78-744 % similar Omeprazole sodium95510-70-644 % similar (-)-Omeprazole119141-88-744 % similar (+)-Omeprazole119141-89-844 % similar Omeprazole73590-58-644 % similar Omeprazole sulfide73590-85-944 % similar

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

Elsewhere

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