Preferred Name

simvastatin

Synonyms

simvastatin

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

Simvastatina

Zocor

Simvastatin

Definitions

A member of the class of hexahydronaphthalenes that is lovastatin in which the 2-methylbutyrate ester moiety has been replaced by a 2,2-dimethylbutyrate ester group. It is used as a cholesterol-lowering and anti-cardiovascular disease drug.

ID

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

charge

0

database_cross_reference

PMID:11336576

PMID:14973129

PMID:14561068

PMID:18199328

Drug_Central:2445

LINCS:LSM-2492

Beilstein:4768037

PMID:18936176

DrugBank:DB00641

Patent:EP33538

PMID:12827636

Patent:US4444784

CAS:79902-63-9

Wikipedia:Simvastatin

KEGG:D00434

PMID:18688862

definition

A member of the class of hexahydronaphthalenes that is lovastatin in which the 2-methylbutyrate ester moiety has been replaced by a 2,2-dimethylbutyrate ester group. It is used as a cholesterol-lowering and anti-cardiovascular disease drug.

formula

C25H38O5

has functional parent

http://purl.obolibrary.org/obo/CHEBI_40303

has role

http://purl.obolibrary.org/obo/CHEBI_50266

http://purl.obolibrary.org/obo/CHEBI_77255

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_obo_namespace

chebi_ontology

has_related_synonym

simvastatin

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

Simvastatina

Zocor

id

CHEBI:9150

in_subset

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

inchi

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

inchikey

RYMZZMVNJRMUDD-HGQWONQESA-N

label

simvastatin

mass

418.56620

monoisotopicmass

418.27192

notation

CHEBI:9150

prefLabel

simvastatin

smiles

CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12

treeView

http://purl.obolibrary.org/obo/CHEBI_142348

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

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

http://purl.obolibrary.org/obo/CHEBI_87633

subClassOf

http://purl.obolibrary.org/obo/CHEBI_142348

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

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

http://purl.obolibrary.org/obo/CHEBI_87633

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