Omeprazole sulphone

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Systematic / IUPAC Name: 5-Methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl}-1H-benzimidazole

ID: Reference2488

Other Names: Omeprazole sulfone;
5-Methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfonyl}-1H-benzo[d]imidazole;
1H-Benzimidazole, 6-methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl}-;
6-Methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfonyl}-1H-1,3-benzodiazole

Formula: C17H19N3O4S

Class: Therapeutics/Prescription Drugs Endogenous Metabolites

Spectral Data

Omeprazole sulphone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/6/2015 10:31:35 AM
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Identificators

InChI InChI=1S/C17H19N3O4S/c1-10-8-18-15(11(2)16(10)24-4)9-25(21,22)17-19-13-6-5-12(23-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
InChI Key IXEQEYRTSRFZEO-UHFFFAOYSA-N
Canonical SMILES CC1=CN=C(C(=C1OC)C)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC
CAS 88546558
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Other Names Omeprazole sulfone;
5-Methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfonyl}-1H-benzo[d]imidazole;
1H-Benzimidazole, 6-methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl}-;
6-Methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfonyl}-1H-1,3-benzodiazole

In Other Databases

HMDb HMDB14012
PubChem 145900
ChemIDPlus 088546558
ChemSpider 128709