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CHEBI:7798 - oseltamivir
| Formula | C16H28N2O4 |
| Net Charge | 0 |
| Average Mass | 312.410 |
| Monoisotopic Mass | 312.20491 |
| SMILES | CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |
| InChI | InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1 |
| InChIKey | VSZGPKBBMSAYNT-RRFJBIMHSA-N |
| Wikipedia |
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| Roles Classification |
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| 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: | antiviral drug A substance used in the prophylaxis or therapy of virus diseases. antiviral agent A substance that destroys or inhibits replication of viruses. EC 3.2.1.18 (exo-alpha-sialidase) inhibitor An antiviral drug targeted at influenza viruses. Its mode of action consists of blocking the function of the viral neuraminidase protein (EC 3.2.1.18), thus preventing the virus from budding from the host cell. 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. anti-obesity agent Any substance which is used to reduce or control weight. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| Applications: | antiviral drug A substance used in the prophylaxis or therapy of virus diseases. antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases. EC 3.2.1.18 (exo-alpha-sialidase) inhibitor An antiviral drug targeted at influenza viruses. Its mode of action consists of blocking the function of the viral neuraminidase protein (EC 3.2.1.18), thus preventing the virus from budding from the host cell. prodrug A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| oseltamivir (CHEBI:7798) has role anti-obesity agent (CHEBI:74518) |
| oseltamivir (CHEBI:7798) has role antiinfective agent (CHEBI:35441) |
| oseltamivir (CHEBI:7798) has role antimicrobial agent (CHEBI:33281) |
| oseltamivir (CHEBI:7798) has role antiviral agent (CHEBI:22587) |
| oseltamivir (CHEBI:7798) has role antiviral drug (CHEBI:36044) |
| oseltamivir (CHEBI:7798) has role EC 3.2.1.18 (exo-α-sialidase) inhibitor (CHEBI:52425) |
| oseltamivir (CHEBI:7798) has role environmental contaminant (CHEBI:78298) |
| oseltamivir (CHEBI:7798) has role prodrug (CHEBI:50266) |
| oseltamivir (CHEBI:7798) has role xenobiotic (CHEBI:35703) |
| oseltamivir (CHEBI:7798) is a acetamides (CHEBI:22160) |
| oseltamivir (CHEBI:7798) is a amino-acid ester (CHEBI:46668) |
| oseltamivir (CHEBI:7798) is a cyclohexenecarboxylate ester (CHEBI:37529) |
| oseltamivir (CHEBI:7798) is a primary amino compound (CHEBI:50994) |
| Incoming Relation(s) |
| oseltamivir phosphate (CHEBI:7799) has part oseltamivir (CHEBI:7798) |
| IUPAC Name |
|---|
| ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate |
| INNs | Source |
|---|---|
| oseltamivir | ChEBI |
| oseltamivir | ChemIDplus |
| oséltamivir | ChEBI |
| oseltamivirum | ChEBI |
| Synonyms | Source |
|---|---|
| 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R-(3α,4β,5α))- | ChemIDplus |
| Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate | ChemIDplus |
| GS-4071 ETHYL ESTER | ChEMBL |
| GS 4104 | ChEMBL |
| GS-4104 | ChemIDplus |
| GS4104 | ChEMBL |
| Brand Names | Source |
|---|---|
| Agucort | KEGG DRUG |
| Tamiflu | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 2001 | DrugCentral |
| C08092 | KEGG COMPOUND |
| D08306 | KEGG DRUG |
| DB00198 | DrugBank |
| HMDB0014343 | HMDB |
| Oseltamivir | Wikipedia |
| US5763483 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8003908 | Reaxys |
| CAS:196618-13-0 | ChemIDplus |
| CAS:196618-13-0 | KEGG COMPOUND |
| Citations |
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