The Drug Ontology

Last uploaded: October 29, 2019
Preferred Name

simvastatin

Synonyms

simvastatin

InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1

MK-733

Simvastatine

(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate

Simvastatinum

2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one

C25H38O5

Simvastatina

Zocor

[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)C(C)(C)CC

Simvastatin

InChIKey=RYMZZMVNJRMUDD-HGQWONQESA-N

Definitions

A fatty acid ester comprising a dihydroxyheptanoic acid unit condensed into a lactone; a partially reduced naphthalene structure; and a 2,2-dimethylbutyric acyl substituent at C17. It is used as a cholesterol-lowering and anti-cardiovascular disease drug.

ID

http://purl.obolibrary.org/obo/CHEBI_9150

database_cross_reference

Beilstein:4768037

ChemIDplus:79902-63-9

DrugBank:DB00641

KEGG DRUG:79902-63-9

Patent:EP33538

KEGG DRUG:D00434

Patent:US4444784

Wikipedia:Simvastatin

has_alternative_id

CHEBI:45577

has_exact_synonym

(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate

Simvastatin

has_related_synonym

simvastatin

InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1

MK-733

Simvastatine

Simvastatinum

2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one

C25H38O5

Simvastatina

Zocor

[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)C(C)(C)CC

InChIKey=RYMZZMVNJRMUDD-HGQWONQESA-N

has_RxCUI

36567

id

CHEBI:9150

label

simvastatin

Simvastatin

notation

CHEBI:9150

prefixIRI

CHEBI:9150

prefLabel

simvastatin

textual definition

A fatty acid ester comprising a dihydroxyheptanoic acid unit condensed into a lactone; a partially reduced naphthalene structure; and a 2,2-dimethylbutyric acyl substituent at C17. It is used as a cholesterol-lowering and anti-cardiovascular disease drug.

subClassOf

http://purl.obolibrary.org/obo/CHEBI_35748

http://purl.obolibrary.org/obo/CHEBI_18946

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http://www.drugbank.ca/drugs/DB00641 FTC LOOM
http://purl.obolibrary.org/obo/DDO.owl#DDO_0004003 DDO LOOM
http://purl.obolibrary.org/obo/DDO.owl#DDO_0004003 DMTO LOOM
http://www.owl-ontologies.com/OntologyXCT.owl#Simvastatin CTX LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D04.615.638.400.900 RH-MESH LOOM
http://purl.bioontology.org/ontology/SNMI/C-80812 SNMI LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000148200 ODAE LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000148200 OCVDAE LOOM
http://purl.bioontology.org/ontology/LNC/LP171640-8 LOINC LOOM
http://doe-generated-ontology.com/OntoAD#C0074554 ONTOAD LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#14812 OCHV LOOM
http://www.semanticweb.org/ontologies/STO.owl#b19485ee_419d_4e81_9eac_b7d84ea067ea CVAO LOOM
http://www.semanticweb.org/ontologies/STO.owl#b19485ee_419d_4e81_9eac_b7d84ea067ea STO-DRAFT LOOM
http://purl.bioontology.org/ontology/RXNORM/36567 RXNORM LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D02.455.426.559.847.638.400.900 RH-MESH LOOM
http://www.genomic-cds.org/ont/genomic-cds.owl#Simvastatin GENE-CDS LOOM
http://purl.bioontology.org/ontology/NDDF/003621 NDDF LOOM
http://www.co-ode.org/ontologies/galen#Simvastatin GALEN LOOM
http://scai.fraunhofer.de/AlzheimerOntology#Simvastatin ADO LOOM
http://purl.bioontology.org/ontology/VANDF/4020400 VANDF LOOM
http://purl.bioontology.org/ontology/CSP/5001-0024 CRISP LOOM
https://bioportal.bioontology.org/ontologies/DMTO.owl#DMTO_0001496 DMTO LOOM
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http://purl.bioontology.org/ontology/RCD/bxd.. RCD LOOM
http://purl.bioontology.org/ontology/MESH/D019821 MESH LOOM
http://stirdf.jst.go.jp/id/200907025396409219 IOBC LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0074554 OCHV LOOM
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http://purl.obolibrary.org/obo/CHEBI_9150 BIOMODELS SAME_URI
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http://purl.obolibrary.org/obo/CHEBI_9150 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9150 CCONT LOOM
http://purl.obolibrary.org/obo/CHEBI_9150 CCONT SAME_URI
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http://purl.obolibrary.org/obo/CHEBI_9150 GO-PLUS SAME_URI
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http://purl.obolibrary.org/obo/CHEBI_9150 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9150 CHEBI LOOM
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http://purl.obolibrary.org/obo/CHEBI_9150 EFO LOOM
http://purl.obolibrary.org/obo/CHEBI_9150 EFO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9150 DIDEO LOOM
http://purl.obolibrary.org/obo/CHEBI_9150 DIDEO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9150 NIFSTD LOOM
http://purl.obolibrary.org/obo/CHEBI_9150 NIFSTD SAME_URI
http://purl.bioontology.org/ontology/PDQ/CDR0000455226 PDQ LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/387584000 SNOMEDCT LOOM
http://bmi.utah.edu/ontologies/peontology/C0074554 RAO LOOM
http://purl.bioontology.org/ontology/UATC/C10AA01 ATC LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C29454 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C29454 NCIT LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D019821 RH-MESH LOOM
http://purl.jp/bio/4/id/200906010113195462 IOBC LOOM