5-Methoxy-2-[((4-methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl)sulfinyl]-benzimidazole

C₁₇H₁₉N₃O₄SCAS 176219-04-8361.42 g/mol

Open in Covalent MOL file

Ether Sulfoxide

Properties

Molecular formula: C₁₇H₁₉N₃O₄S
Molar mass: 361.42 g/mol
Exact mass: 361.1096 Da
logP: 2.14Crippen estimate
Polar surface area: 91.2 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 5

Identifiers

CAS number

176219-04-8

SMILES

CC1=C[N+](=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)[O-]

InChIKey

QZVDQETYNOBUPJ-UHFFFAOYSA-N

InChI

InChI=1S/C17H19N3O4S/c1-10-8-20(21)15(11(2)16(10)24-4)9-25(22)17-18-13-6-5-12(23-3)7-14(13)19-17/h5-8H,9H2,1-4H3,(H,18,19)

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Names and synonyms

1 names

Omeprazole-N-oxide

Work with 5-Methoxy-2-[((4-methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl)sulfinyl]-benzimidazole

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

(-)-Omeprazole119141-88-766 % similar (+)-Omeprazole119141-89-866 % similar Omeprazole73590-58-666 % similar Omeprazole sulfone N-oxide158812-85-265 % similar Esomeprazole sodium161796-78-763 % similar Omeprazole sodium95510-70-663 % similar Pantoprazole102625-70-747 % similar Omeprazole sulfide73590-85-946 % similar

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

Same formula

Omeprazole sulfone88546-55-8

Elsewhere

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