loading...| Preferred Name |
rosuvastatin calcium |
|
| Synonyms |
calcium bis[(3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoate] Rosuvastatin hemicalcium Crestor ZD 4522 |
|
| Definitions |
An organic calcium salt that is the hemicalcium salt of rosuvastatin. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_77249 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:23675248 PMID:23019718 Patent:WO2008015563 PMID:22944060 PMID:23999225 HMDB:HMDB0015230 PMID:22896825 PMID:20448862 KEGG:D01915 Patent:EP2298745 CAS:147098-20-2 PMID:23823872 Patent:WO2012016479 PMID:24386659 PMID:20852754 DrugBank:DB01098 Wikipedia:Rosuvastatin Reaxys:7740139 Patent:WO2012002741 PMID:23066186 PMID:23469685 PMID:21963479 PMID:21694991 PMID:24012665 PMID:20401351 PMID:23574635 |
|
| definition |
An organic calcium salt that is the hemicalcium salt of rosuvastatin. |
|
| formula |
C44H54CaF2N6O12S2 |
|
| has part | ||
| 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 |
Rosuvastatin hemicalcium Crestor 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 |
|
| inchikey |
LALFOYNTGMUKGG-BGRFNVSISA-L |
|
| label |
rosuvastatin calcium |
|
| mass |
1001.13700 |
|
| monoisotopicmass |
1000.28351 |
|
| notation |
CHEBI:77249 |
|
| prefLabel |
rosuvastatin calcium |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_77307 |
|
| 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 |
|
| subClassOf |