Preferred Name

rosuvastatin

Synonyms

(3R,5S,6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid

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

(3R,5S,6E)-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid

rosuvastatin

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

database_cross_reference

PMID:24434545

PMID:24072337

PMID:24353409

PMID:24230979

PMID:19724024

Patent:US2013035316

PMID:24440960

PMID:24452083

PMID:23806820

PMID:24444439

PMID:24410968

PMID:24304551

PMID:24456217

PMID:18509206

PMID:24253250

Wikipedia:Rosuvastatin

PMID:24440231

PMID:24333476

PMID:24156555

Drug_Central:2406

HMDB:HMDB0015230

PMID:24417785

PMID:24163149

PMID:19956889

DrugBank:DB01098

CAS:287714-41-4

PMID:24076283

PMID:24076297

Reaxys:9670765

PMID:23881596

PMID:23944632

Beilstein:9670765

PMID:17970755

PMID:24259612

PMID:24467235

KEGG:D08492

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).

formula

C22H28FN3O6S

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

has functional parent

http://purl.obolibrary.org/obo/CHEBI_38363

has role

http://purl.obolibrary.org/obo/CHEBI_35703

http://purl.obolibrary.org/obo/CHEBI_77307

http://purl.obolibrary.org/obo/CHEBI_49205

http://purl.obolibrary.org/obo/CHEBI_67079

http://purl.obolibrary.org/obo/CHEBI_78298

has_obo_namespace

chebi_ontology

has_related_synonym

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

(3R,5S,6E)-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid

rosuvastatin

id

CHEBI:38545

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

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

is conjugate acid of

http://purl.obolibrary.org/obo/CHEBI_77313

label

rosuvastatin

mass

481.53800

monoisotopicmass

481.16828

notation

CHEBI:38545

prefLabel

rosuvastatin

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

subClassOf

http://purl.obolibrary.org/obo/CHEBI_35358

http://purl.obolibrary.org/obo/CHEBI_87635

http://purl.obolibrary.org/obo/CHEBI_83575

http://purl.obolibrary.org/obo/CHEBI_39447

http://purl.obolibrary.org/obo/CHEBI_35972

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Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_38545 EFO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_38545 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_38545 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_38545 BAO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_38545 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_38545 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_38545 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_38545 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_38545 DIDEO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_38545 EFO LOOM
http://purl.obolibrary.org/obo/CHEBI_38545 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_38545 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_38545 BAO LOOM
http://purl.obolibrary.org/obo/CHEBI_38545 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_38545 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_38545 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_38545 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_38545 DIDEO LOOM
http://www.drugbank.ca/drugs/DB01098 FTC LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C66523 NCIT LOOM
http://purl.bioontology.org/ontology/RXNORM/301542 RXNORM LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#53588 OCHV LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148821 NDFRT LOOM
http://bmi.utah.edu/ontologies/hfontology/C0965129 HFO LOOM
http://scai.fraunhofer.de/AlzheimerOntology#rosuvastatin ADO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C422923 RH-MESH LOOM
http://www.semanticweb.org/admin/ontologies/2022/7/MIO:02127 MIO LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/700067006 SNOMEDCT LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000148821 OCVDAE LOOM
https://go.drugbank.com/drugs/DB01098 MDM LOOM
http://purl.obolibrary.org/obo/NCIT_C66523 BERO LOOM
http://purl.bioontology.org/ontology/ATC/C10AA07 ATC LOOM
http://purl.bioontology.org/ontology/NDDF/009902 NDDF LOOM
http://purl.bioontology.org/ontology/LNC/LP171638-2 LOINC LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0965129 OCHV LOOM
http://purl.bioontology.org/ontology/VANDF/4021405 VANDF LOOM