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Experimental Factor Ontology
Last uploaded:
December 16, 2024
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| Preferred Name | rosuvastatin | |
| Synonyms |
(3R,5S,6E)-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid (3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid rosuvastatin (3R,5S,6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid |
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| Definitions |
A dihydroxy monocarboxylic acid that is (6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl} hept-6-enoic acid carrying two hydroxy substituents at positions 3 and 5 (the 3R,5S-diastereomer). |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_38545 |
|
| charge |
0
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|
| database_cross_reference |
Patent:US2013035316 PMID:19724024 PMID:23944632 Drug_Central:2406 NCIt:C66523 PMID:24434545 HMDB:HMDB0015230 PMID:24440960 PMID:24333476 PMID:18509206 PMID:24467235 PMID:23806820 SNOMEDCT:700067006 PMID:24410968 PMID:24417785 PMID:24163149 PMID:24304551 SNOMEDCT:406436002 ChemIDplus:287714-41-4 PMID:24456217 PMID:24076297 PMID:24072337 PMID:24259612 DrugBank:DB01098 MeSH:C422923 Reaxys:9670765 Wikipedia:Rosuvastatin Beilstein:9670765 PMID:24444439 CAS:287714-41-4 PMID:24452083 PMID:23881596 PMID:24353409 PMID:24230979 PMID:24076283 PMID:19956889 PMID:24253250 PMID:24440231 PMID:24156555 PMID:17970755 KEGG:D08492 ChEMBL:518845
|
|
| definition |
A dihydroxy monocarboxylic acid that is (6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl} hept-6-enoic acid carrying two hydroxy substituents at positions 3 and 5 (the 3R,5S-diastereomer).
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|
| formula |
C22H28FN3O6S
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|
| has_exact_synonym |
(3R,5S,6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid
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|
| has_obo_namespace |
chebi_ontology
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|
| has_related_synonym |
(3R,5S,6E)-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid (3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid rosuvastatin
|
|
| id |
CHEBI:38545
|
|
| in_subset | ||
| 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
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|
| inchikey |
BPRHUIZQVSMCRT-VEUZHWNKSA-N
|
|
| label |
rosuvastatin
|
|
| mass |
481.53800
|
|
| monoisotopicmass |
481.16828
|
|
| notation |
CHEBI:38545
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|
| preferred label |
rosuvastatin
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|
| prefLabel |
rosuvastatin
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|
| smiles |
CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O
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| subClassOf |
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