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CHEBI:8776 - ranitidine
| Formula | C13H22N4O3S |
| Net Charge | 0 |
| Average Mass | 314.411 |
| Monoisotopic Mass | 314.14126 |
| SMILES | CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 |
| 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 |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Roles: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | drug allergen Any drug which causes the onset of an allergic reaction. 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. 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. |
| Applications: | drug allergen Any drug which causes the onset of an allergic reaction. 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 | Source |
|---|---|
| ranitidine | ChemIDplus |
| ranitidina | ChemIDplus |
| ranitidinum | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| D00422 | KEGG DRUG |
| FR2384765 | Patent |
| US4128658 | Patent |
| DB00863 | DrugBank |
| Ranitidine | Wikipedia |
| HMDB0001930 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4327819 | Reaxys |
| CAS:66357-35-5 | ChemIDplus |
| Citations |
|---|