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ChEBI
> Main
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.
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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 (Br
o
nsted 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
Types
Sources
4008551
PubMed citation
Europe PMC
6271798
PubMed citation
Europe PMC
7645303
PubMed citation
Europe PMC
Last Modified
13 November 2014