CHEBI:31934 - Omeprazole sodium

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ChEBI Name Omeprazole sodium
ChEBI ID CHEBI:31934
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C17H18N3NaO3S
C17H18N3O3S.Na
Net Charge 0
Average Mass 367.400
Monoisotopic Mass 367.09666
InChI InChI=1S/C17H18N3O3S.Na/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h5-8H,9H2,1-4H3;/q-1;+1
InChIKey RYXPMWYHEBGTRV-UHFFFAOYSA-N
SMILES C1=C(C=C2C(=C1)[N-]C(=N2)S(CC3=C(C(=C(C=N3)C)OC)C)=O)OC.[Na+]
ChEBI Ontology
Outgoing Omeprazole sodium (CHEBI:31934) is a benzimidazoles (CHEBI:22715)
Omeprazole sodium (CHEBI:31934) is a sulfoxide (CHEBI:22063)
Synonym Source
Omeprazole sodium KEGG COMPOUND
Manual Xref Database
D01207 KEGG DRUG
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Registry Numbers Types Sources
142706-19-2 CAS Registry Number KEGG COMPOUND
95510-70-6 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017