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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | rosuvastatin calcium | |
| Synonyms |
Crestor Rosuvastatin hemicalcium ZD 4522 calcium bis[(3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoate] |
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| Definitions |
An organic calcium salt that is the hemicalcium salt of rosuvastatin. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_77249 |
|
| charge |
0
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|
| database_cross_reference |
PMID:20401351 PMID:20448862 PMID:23823872 Reaxys:7740139 Patent:WO2008015563 PMID:24012665 PMID:22944060 PMID:21694991 PMID:23019718 Patent:WO2012016479 Wikipedia:Rosuvastatin PMID:23469685 KEGG:D01915 PMID:22896825 PMID:23999225 HMDB:HMDB0015230 PMID:20852754 Patent:EP2298745 DrugBank:DB01098 PMID:24386659 PMID:23066186 Patent:WO2012002741 PMID:23574635 CAS:147098-20-2 PMID:23675248 PMID:21963479
|
|
| definition |
An organic calcium salt that is the hemicalcium salt of rosuvastatin.
|
|
| formula |
C44H54CaF2N6O12S2
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|
| has part | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_77307 |
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| has_exact_synonym |
calcium bis[(3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoate]
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Crestor Rosuvastatin hemicalcium ZD 4522
|
|
| id |
CHEBI:77249
|
|
| in_subset | ||
| inchi |
InChI=1S/2C22H28FN3O6S.Ca/c2*1-13(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;/h2*5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;;+2/p-2/b2*10-9+;/t2*16-,17-;/m11./s1
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|
| inchikey |
LALFOYNTGMUKGG-BGRFNVSISA-L
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|
| label |
rosuvastatin calcium
|
|
| mass |
1001.13700
|
|
| monoisotopicmass |
1000.28351
|
|
| notation |
CHEBI:77249
|
|
| prefLabel |
rosuvastatin calcium
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|
| smiles |
[Ca++].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.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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| treeView | ||
| subClassOf |
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