CHEBI:83498 - ranitidine N-oxide

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ChEBI Name ranitidine N-oxide
ChEBI ID CHEBI:83498
ChEBI ASCII Name ranitidine N-oxide
Definition A N-oxide derivative of ranitidine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H22N4O4S
Net Charge 0
Average Mass 330.40300
Monoisotopic Mass 330.13618
InChI InChI=1S/C13H22N4O4S/c1-14-13(8-16(18)19)15-6-7-22-10-12-5-4-11(21-12)9-17(2,3)20/h4-5,8,14-15H,6-7,9-10H2,1-3H3
InChIKey DFJVUWAHTQPQCV-UHFFFAOYSA-N
SMILES CNC(NCCSCc1ccc(CN(C)(C)=O)o1)=C[N+]([O-])=O
Roles Classification
Biological Role(s): drug metabolite

marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
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ChEBI Ontology
Outgoing ranitidine N-oxide (CHEBI:83498) has role drug metabolite (CHEBI:49103)
ranitidine N-oxide (CHEBI:83498) has role marine xenobiotic metabolite (CHEBI:83399)
ranitidine N-oxide (CHEBI:83498) is a C-nitro compound (CHEBI:35716)
ranitidine N-oxide (CHEBI:83498) is a N-oxide (CHEBI:35580)
ranitidine N-oxide (CHEBI:83498) is a furans (CHEBI:24129)
IUPAC Name
N-{2-[({5-[(dimethylnitroryl)methyl]furan-2-yl}methyl)sulfanyl]ethyl}-N'-methyl-2-nitroethene-1,1-diamine
Registry Number Type Source
8395193 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
6271798 PubMed citation Europe PMC
7645303 PubMed citation Europe PMC
9210451 PubMed citation Europe PMC
Last Modified
13 November 2014