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Concept information

Preferred term

rosuvastatin calcium  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C44H54CaF2N6O12S2

has_role

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

mass

  • 1001.13700

monoisotopicmass

  • 1000.28351

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

subset

  • 3_STAR

synonym EXACT

  • calcium bis[(3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoate]

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:77249

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