Compound Summary

  Compound Information
 simvastatin

Compound Name:

simvastatin

Compound CID:

54454

Synonyms:

simvastatin

79902-63-9

Zocor

Synvinolin

Sinvacor

More...

Iupac Name:

[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate

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

Canonical Smiles:

CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C

Isomeric Smiles:

CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C

Molecular Weight:

418.6

Molecular Formula:

C25H38O5

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 simvastatin

Molecular Weight:

418.6

Molecular Formula:

C25H38O5

Hydrogen Bond Donor Count:

1

Hydrogen Bond Acceptor Count:

5

Rotatable Bond Count:

7

Heavy Atom Count:

30

Complexity:

706

  Synonyms
 simvastatin

simvastatin simvastatin

simvastatin

79902-63-9

Zocor

Synvinolin

Sinvacor

Denan

Lipex

MK-733

Sivastin

Lodales

Simvastatine

Cholestat

Colemin

Simovil

Medipo

Pantok

Simvastatina

Simvastatinum

Velostatin

Zocord

Zorced

Simvastatin lactone

(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 (Zocor)

Lipovas

Simcard

Simvacor

Simvoget

Rechol

Simlup

MK-0733

UNII-AGG2FN16EV

MK 733

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

AGG2FN16EV

CHEBI:9150

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

(1S,3R,7S,8S,8aR)-8-2-(2R,4R)-4-hydroxy-6-oxooxan-2-ylethyl-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate

Labistatin

Coledis

Corolin

Nivelipol

Rendapid

Vasotenal

Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-2-(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-ylethyl-1-naphthalenyl ester

C25H38O5

Simvastatine French

Simvastatinum Latin

Simvastatina Spanish

DSSTox_CID_3581

DSSTox_RID_77090

DSSTox_GSID_23581

Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-((2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester

Zosta

Simvast CR

DRG-0320

(1S,3R,7S,8S,8aR)-8-2-(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-ylethyl-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate

SMR000718785

MK 0733

CCRIS 7558

Zocor (TN)

HSDB 7208

Simvastatin & Primycin

MK733

SR-05000001894

(1S,3R,7S,8S,8aR)-8-{2-(2R,4R)-4-hydroxy-6-oxooxan-2-ylethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate

L 644128-000U

BRN 4768037

Kolestevan

Lipinorm

Modutrol

Simvotin

Sinvascor

Valemia

Eucor

MFCD00072007

Nor-Vastina

Simvastatin,(S)

C10AA01

simvastatin predrug

(+)-Simvastatin

NCGC00016940-01

inactive simvastatin

8-2-((2R,4R)-4-hydroxy-6-oxo(2H-3,4,5-trihydropyran-2-yl))ethyl(1S,7S,8S,3R, 8aR)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthyl 2,2-dimethylbutanoate

Simvastatin USAN:USP:INN:BAN

TNP00259

Prestwick_171

Simvastatin- Bio-X

CAS-79902-63-9

KS-1113

Spectrum_001717

SpecPlus_000895

Prestwick0_000865

Prestwick1_000865

Prestwick2_000865

Prestwick3_000865

Spectrum2_001671

Spectrum3_000669

Spectrum4_000632

Spectrum5_001428

SCHEMBL2471

CHEMBL1064

BSPBio_000909

BSPBio_002337

KBioGR_001244

KBioSS_002197

MLS001304029

MLS001333077

MLS001333078

MLS002154038

MLS006011866

ARONIS24119

BIDD:GT0769

DivK1c_006991

SPECTRUM1504236

SPBio_001881

SPBio_002830

BPBio1_001001

GTPL2955

Simvastatin (JP17/USP/INN)

Simvastatin, analytical standard

DTXSID0023581

BCBcMAP01_000007

KBio1_001935

KBio2_002197

KBio2_004765

KBio2_007333

KBio3_001557

RYMZZMVNJRMUDD-HGQWONQESA-

HMS1570N11

HMS1922H13

HMS2089D12

HMS2093E06

HMS2097N11

HMS2231N22

HMS3259B12

HMS3412P08

HMS3676P08

HMS3714N11

HMS3884G10

Pharmakon1600-01504236

ZINC3780893

Tox21_110696

Tox21_300400

BBL024390

BDBM50139181

CCG-39069

NSC633782

NSC758706

s1792

SBB080618

STK801938

AKOS005111006

AKOS015842733

Simvastatin, >=97% (HPLC), solid

Tox21_110696_1

AC-1530

AT-7048

DB00641

MCULE-8390617062

NC00719

NSC 758706

NSC-633782

NSC-758706

MRF-0000729

NCGC00017324-01

NCGC00017324-02

NCGC00017324-03

NCGC00017324-04

NCGC00017324-05

NCGC00017324-07

NCGC00017324-08

NCGC00017324-09

NCGC00254418-01

2,2-Dimethylbutanoic acid (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-2-(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-ylethyl-1-naphthalenyl ester

BS164407

Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1S-(1alpha,3alpha,7beta,8beta(2S*,4S*),8abeta))-

HY-17502

ST057168

SBI-0206773.P001

Simvastatin 100 microg/mL in Acetonitrile

AB0069097

D00434

J10128

28049-EP2269989A1

28049-EP2269990A1

28049-EP2270011A1

28049-EP2270505A1

28049-EP2272825A2

28049-EP2272841A1

28049-EP2277865A1

28049-EP2280001A1

28049-EP2280006A1

28049-EP2281813A1

28049-EP2284158A1

28049-EP2287165A2

28049-EP2287166A2

28049-EP2292620A2

28049-EP2295406A1

28049-EP2295409A1

28049-EP2295417A1

28049-EP2295422A2

28049-EP2298731A1

28049-EP2298742A1

28049-EP2298745A1

28049-EP2298769A1

28049-EP2298772A1

28049-EP2298776A1

28049-EP2298779A1

28049-EP2301923A1

28049-EP2301931A1

28049-EP2301936A1

28049-EP2305219A1

28049-EP2305648A1

28049-EP2308839A1

28049-EP2308878A2

28049-EP2314588A1

96639-EP2287163A1

96639-EP2305678A1

99548-EP2270011A1

99548-EP2298779A1

99548-EP2301923A1

99548-EP2301931A1

AB00053395-07

AB00053395-08

AB00053395-10

AB00053395_11

AB00053395_13

902S639

A839783

Q670131

SR-05000001894-1

SR-05000001894-2

BRD-K22134346-001-05-8

BRD-K22134346-001-11-6

BRD-K22134346-001-15-7

Z1741982918

Simvastatin, British Pharmacopoeia (BP) Reference Standard

Simvastatin, European Pharmacopoeia (EP) Reference Standard

Simvastatin, United States Pharmacopeia (USP) Reference Standard

Simvastatin, Pharmaceutical Secondary Standard; Certified Reference Material

Simvastatin for peak identification, European Pharmacopoeia (EP) Reference Standard

(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-2-(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-ylethyl-1-naphthalenyly-2,2-dimethyl butanoate

(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-dimethylbu

(1S,7S,8S,8aR)-8-{2-(2R,4R)-4-hydroxy-6-oxooxan-2-ylethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate

  Experimental Data
 simvastatin

Species Dosage Unit CG Lifespan(AVG/MED days) TG Lifespan(AVG/MED days) Lifespan Change(AVG/MED%) CG Lifespan(MAX days) TG Lifespan(MAX days) Lifespan Change(MAX%) Significant Strain Gender PubMed Active Label
Drosophila melanogaster 12 mM 35.1 38.3 0.09 S 22737247 Active
Drosophila melanogaster 240 umol/L 24.3 25.5 0.05 S 22737247 Active
Drosophila melanogaster 0.24 mM 35.1 43.9 0.25 S 22737247 Active
Drosophila melanogaster 240 umol/L 26.5 29.7 0.12 NS 22737247 Inactive
Drosophila melanogaster 2.4 mM 35.1 37.7 0.07 S 22737247 Active
Drosophila melanogaster 0.024 mM 35.1 36.8 0.05 S 22737247 Active
  Experimental Data Visualization
 simvastatin

  Statistics Data
 simvastatin

Species Lifespan Change(AVG/MED%) Lifespan Change(MAX%) Count Reference Count Data point
Drosophila melanogaster 0.25 1 6
  Statistics Data Visualization
 simvastatin

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