A member of the class of hexahydronaphthalenes that is lovastatin in which the 2-methylbutyrate ester moiety has been replaced by a 2,2-dimethylbutyrate ester group.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.

Synonyms: Simvastatin (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

This is just here as a test because I lose it

Term information

database cross reference
Subsets

3_STAR

charge

0

database cross reference

PMID:18936176

PMID:18688862

Beilstein:4768037

Patent:EP33538

PMID:12827636

LINCS:LSM-2492

Wikipedia:Simvastatin

Drug_Central:2445

Patent:US4444784

HMDB:HMDB0005007

CAS:79902-63-9

PMID:14973129

PMID:11336576

KEGG:D00434

DrugBank:DB00641

PMID:18199328

PMID:14561068

formula

C25H38O5

has related synonym

Simvastatina

MK-733

Simvastatinum

simvastatin

Zocor

Simvastatine

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

has alternative id

CHEBI:45577

has obo namespace

chebi_ontology

id

CHEBI:9150

imported from

http://purl.obolibrary.org/obo/chebi.owl

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

mass

418.56620

monoisotopicmass

418.27192

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

Term relations

Subclass of: