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CHEBI:38545 - rosuvastatin
| Formula | C22H28FN3O6S |
| Net Charge | 0 |
| Average Mass | 481.546 |
| Monoisotopic Mass | 481.16828 |
| SMILES | CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O |
| InChI | InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1 |
| InChIKey | BPRHUIZQVSMCRT-VEUZHWNKSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Roles: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. antiviral agent A substance that destroys or inhibits replication of viruses. anti-obesity agent Any substance which is used to reduce or control weight. 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. antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. CETP inhibitor Any inhibitor of cholesterylester transfer protein (CETP), which transfers cholesterol from high density lipoproteins (HDL, the 'good' cholesterol-containing particles) to low or very low density lipoproteins (LDL or VLDL, the 'bad' cholesterol-containing particles). Inhibition of this process results in higher HDL levels and lower LDL levels. CETP inhibitors are under investigation as potential drugs to reduce the risk of arteriosclerotic vascular disease (atherosclerosis). antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor Any EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that inhibits HMG-CoA reductases. Hydroxymethylglutaryl-CoA reductase inhibitors have been shown to lower directly cholesterol synthesis. The Enzyme Commission designation is EC 1.1.1.34 for the NADPH-dependent enzyme and EC 1.1.1.88 for an NADH-dependent enzyme. |
| Applications: | anti-asthmatic agent Any compound that has anti-asthmatic effects. cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. anti-inflammatory agent Any compound that has anti-inflammatory effects. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. antiparkinson drug A drug used in the treatment of Parkinson's disease. hypoglycemic agent A drug which lowers the blood glucose level. anti-anaemic agent A compound which increases either the number of red cells or the amount of haemoglobin in the blood. antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. antirheumatic drug A drug used to treat rheumatoid arthritis. antiatherosclerotic agent A cardiovascular drug that prevents atherosclerosis (a disease in which the inside of an artery narrows due to the build up of plaque). Compare with antiatherogenic agent. antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. anticholesteremic drug A substance used to lower plasma cholesterol levels. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antilipemic drug A substance used to treat hyperlipidemia (an excess of lipids in the blood). cardioprotective agent Any protective agent that is able to prevent damage to the heart. antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. anticholesteremic drug A substance used to lower plasma cholesterol levels. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| rosuvastatin (CHEBI:38545) has functional parent hept-6-enoic acid (CHEBI:38363) |
| rosuvastatin (CHEBI:38545) has role anti-anaemic agent (CHEBI:75835) |
| rosuvastatin (CHEBI:38545) has role anti-asthmatic agent (CHEBI:65023) |
| rosuvastatin (CHEBI:38545) has role anti-HIV agent (CHEBI:64946) |
| rosuvastatin (CHEBI:38545) has role anti-inflammatory agent (CHEBI:67079) |
| rosuvastatin (CHEBI:38545) has role anti-obesity agent (CHEBI:74518) |
| rosuvastatin (CHEBI:38545) has role antiatherosclerotic agent (CHEBI:145947) |
| rosuvastatin (CHEBI:38545) has role antibacterial agent (CHEBI:33282) |
| rosuvastatin (CHEBI:38545) has role anticholesteremic drug (CHEBI:35821) |
| rosuvastatin (CHEBI:38545) has role antidepressant (CHEBI:35469) |
| rosuvastatin (CHEBI:38545) has role antihypertensive agent (CHEBI:35674) |
| rosuvastatin (CHEBI:38545) has role antilipemic drug (CHEBI:35679) |
| rosuvastatin (CHEBI:38545) has role antimalarial (CHEBI:38068) |
| rosuvastatin (CHEBI:38545) has role antineoplastic agent (CHEBI:35610) |
| rosuvastatin (CHEBI:38545) has role antiparkinson drug (CHEBI:48407) |
| rosuvastatin (CHEBI:38545) has role antirheumatic drug (CHEBI:35842) |
| rosuvastatin (CHEBI:38545) has role antitubercular agent (CHEBI:33231) |
| rosuvastatin (CHEBI:38545) has role antiviral agent (CHEBI:22587) |
| rosuvastatin (CHEBI:38545) has role cardioprotective agent (CHEBI:77307) |
| rosuvastatin (CHEBI:38545) has role cardiovascular drug (CHEBI:35554) |
| rosuvastatin (CHEBI:38545) has role CETP inhibitor (CHEBI:49205) |
| rosuvastatin (CHEBI:38545) has role environmental contaminant (CHEBI:78298) |
| rosuvastatin (CHEBI:38545) has role hypoglycemic agent (CHEBI:35526) |
| rosuvastatin (CHEBI:38545) has role xenobiotic (CHEBI:35703) |
| rosuvastatin (CHEBI:38545) is a dihydroxy monocarboxylic acid (CHEBI:35972) |
| rosuvastatin (CHEBI:38545) is a monofluorobenzenes (CHEBI:83575) |
| rosuvastatin (CHEBI:38545) is a pyrimidines (CHEBI:39447) |
| rosuvastatin (CHEBI:38545) is a statin (synthetic) (CHEBI:87635) |
| rosuvastatin (CHEBI:38545) is a sulfonamide (CHEBI:35358) |
| rosuvastatin (CHEBI:38545) is conjugate acid of rosuvastatin(1−) (CHEBI:77313) |
| Incoming Relation(s) |
| rosuvastatin(1−) (CHEBI:77313) is conjugate base of rosuvastatin (CHEBI:38545) |
| IUPAC Name |
|---|
| (3R,5S,6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid |
| INNs | Source |
|---|---|
| rosuvastatin | KEGG DRUG |
| rosuvastatina | WHO MedNet |
| rosuvastatine | WHO MedNet |
| Synonyms | Source |
|---|---|
| (3R,5S,6E)-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid | ChemIDplus |
| (3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid | IUPAC |
| Creston | ChEMBL |
| X-plended | ChEMBL |
| ZD-4522 | ChEMBL |
| Manual Xrefs | Databases |
|---|---|
| 2406 | DrugCentral |
| D08492 | KEGG DRUG |
| DB01098 | DrugBank |
| HMDB0015230 | HMDB |
| Rosuvastatin | Wikipedia |
| US2013035316 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:9670765 | Reaxys |
| CAS:287714-41-4 | ChemIDplus |
| Citations |
|---|