Chemical Entities of Biological Interest Ontology

Last uploaded: August 1, 2024

Preferred Name	Omeprazole sodium
Synonyms	Omeprazole sodium
ID	http://purl.obolibrary.org/obo/CHEBI_31934
charge	0
database_cross_reference	CAS:95510-70-6 KEGG:D01207 CAS:142706-19-2
formula	C17H18N3NaO3S C17H18N3O3S.Na
has_exact_synonym	Omeprazole sodium
has_obo_namespace	chebi_ontology
id	CHEBI:31934
in_subset	http://purl.obolibrary.org/obo/chebi#2_STAR
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
label	Omeprazole sodium
mass	367.400
monoisotopicmass	367.09666
notation	CHEBI:31934
prefLabel	Omeprazole sodium
smiles	C1=C(C=C2C(=C1)[N-]C(=N2)S(CC3=C(C(=C(C=N3)C)OC)C)=O)OC.[Na+]
treeView	http://purl.obolibrary.org/obo/CHEBI_22063 http://purl.obolibrary.org/obo/CHEBI_22715
subClassOf	http://purl.obolibrary.org/obo/CHEBI_22063 http://purl.obolibrary.org/obo/CHEBI_22715

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_31934	BERO	SAME_URI
http://www.co-ode.org/ontologies/galen#OmeprazoleSodium	GALEN	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/441570004	SNOMEDCT	LOOM
http://purl.bioontology.org/ontology/RXNORM/1792108	RXNORM	LOOM
http://purl.obolibrary.org/obo/NCIT_C74598	BERO	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C74598	NCIT	LOOM
http://purl.bioontology.org/ontology/NDDF/005065	NDDF	LOOM
http://purl.obolibrary.org/obo/CHEBI_31934	BERO	LOOM