CHEBI:83497 - ranitidine-S-oxide

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ChEBI Name ranitidine-S-oxide
ChEBI ID CHEBI:83497
ChEBI ASCII Name ranitidine-S-oxide
Definition A sulfoxide derivative of the drug ranitidine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C13H22N4O4S
Net Charge 0
Average Mass 330.40300
Monoisotopic Mass 330.13618
InChI InChI=1S/C13H22N4O4S/c1-14-13(9-17(18)19)15-6-7-22(20)10-12-5-4-11(21-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3
InChIKey SKHXRNHSZTXSLP-UHFFFAOYSA-N
SMILES CNC(NCCS(=O)Cc1ccc(CN(C)C)o1)=C[N+]([O-])=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): drug metabolite

marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ranitidine-S-oxide (CHEBI:83497) has role drug metabolite (CHEBI:49103)
ranitidine-S-oxide (CHEBI:83497) has role marine xenobiotic metabolite (CHEBI:83399)
ranitidine-S-oxide (CHEBI:83497) is a C-nitro compound (CHEBI:35716)
ranitidine-S-oxide (CHEBI:83497) is a furans (CHEBI:24129)
ranitidine-S-oxide (CHEBI:83497) is a sulfoxide (CHEBI:22063)
ranitidine-S-oxide (CHEBI:83497) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
N-{2-[({5-[(dimethylamino)methyl]furan-2-yl}methyl)sulfinyl]ethyl}-N'-methyl-2-nitroethene-1,1-diamine
Registry Number Type Source
8395257 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
4008551 PubMed citation Europe PMC
6271798 PubMed citation Europe PMC
7645303 PubMed citation Europe PMC
Last Modified
13 November 2014