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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: | 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. 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. |
| Applications: | 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. 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. |
| 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 |
|---|---|
| ranitidina | ChemIDplus |
| ranitidine | ChemIDplus |
| ranitidinum | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| D00422 | KEGG DRUG |
| DB00863 | DrugBank |
| FR2384765 | Patent |
| HMDB0001930 | HMDB |
| Ranitidine | Wikipedia |
| US4128658 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4327819 | Reaxys |
| CAS:66357-35-5 | ChemIDplus |
| Citations |
|---|