CHEBI:8776 - ranitidine

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ChEBI Name ranitidine
ChEBI ID CHEBI:8776
Definition A member of the class of furans used to treat peptic ulcer disease (PUD) and gastroesophageal reflux disease.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C13H22N4O3S
Net Charge 0
Average Mass 314.40400
Monoisotopic Mass 314.141
InChI InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+
InChIKey VMXUWOKSQNHOCA-UKTHLTGXSA-N
SMILES CN\C(NCCSCc1ccc(CN(C)C)o1)=C/[N+]([O-])=O
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): H2-receptor antagonist
H2-receptor antagonists are the drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of endogenous histamine.
drug allergen
Any drug which causes the onset of an allergic reaction.
xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application(s): H2-receptor antagonist
H2-receptor antagonists are the drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of endogenous histamine.
anti-ulcer drug
One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.
drug allergen
Any drug which causes the onset of an allergic reaction.
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ChEBI Ontology
Outgoing ranitidine (CHEBI:8776) has role anti-ulcer drug (CHEBI:49201)
ranitidine (CHEBI:8776) has role drug allergen (CHEBI:88188)
ranitidine (CHEBI:8776) has role environmental contaminant (CHEBI:78298)
ranitidine (CHEBI:8776) has role H2-receptor antagonist (CHEBI:37961)
ranitidine (CHEBI:8776) has role xenobiotic (CHEBI:35703)
ranitidine (CHEBI:8776) is a C-nitro compound (CHEBI:35716)
ranitidine (CHEBI:8776) is a furans (CHEBI:24129)
ranitidine (CHEBI:8776) is a organic sulfide (CHEBI:16385)
ranitidine (CHEBI:8776) is a tertiary amino compound (CHEBI:50996)
Incoming ranitidine hydrochloride (CHEBI:8777) has part ranitidine (CHEBI:8776)
IUPAC Name
(E)-N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-N'-methyl-2-nitroethene-1,1-diamine
INNs Sources
ranitidina ChemIDplus
ranitidine ChemIDplus
ranitidinum ChemIDplus
Database Links Databases
D00422 KEGG DRUG
DB00863 DrugBank
FR2384765 Patent
HMDB01930 HMDB
Ranitidine Wikipedia
US4128658 Patent
View more database links
Registry Numbers Types Sources
4327819 Reaxys Registry Number Reaxys
4327819 Beilstein Registry Number Beilstein
66357-35-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
18609122 PubMed citation Europe PMC
19694603 PubMed citation Europe PMC
Last Modified
07 December 2016