Simvastatin dimer

Basic Information

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CAS Number

476305-24-5

Molecular Formula

C50H76O10

Molecular Weight

837.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

170-180?C

SMILES

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CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)OC(=O)CC(CC(CCC4C(C=CC5=CC(CC(C45)OC(=O)C(C)(C)CC)C)C)O)O)C

InChI

InChI=1S/C50H76O10/c1-11-49(7,8)47(55)59-41-23-29(3)21-33-15-13-31(5)39(45(33)41)19-17-35(51)25-36(52)26-43(53)58-38-27-37(57-44(54)28-38)18-20-40-32(6)14-16-34-22-30(4)24-42(46(34)40)60-48(56)50(9,10)12-2/h13-16,21-22,29-32,35-42,45-46,51-52H,11-12,17-20,23-28H2,1-10H3

InChIKey

GUEULYYYHDURDF-UHFFFAOYSA-N

LogP

9.171200000000004

Topological Polar Surface Area

145.66000000000003 Å²

Hydrogen Bond Donor/Acceptor

2 / 10

Complexity

1650

Safety Information

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Stability

Hygroscopic

Synonyms & References

English

Simvastatin Dimer
Simvastatin Dimer Impurity
Simvastatin Dimer Im
DTXSID60197228
[(2R,4R)-2-[2-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-6-oxooxan-4-yl] (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-?,?-dihydroxy-2,6-dimethyl-, (2R,4R)-2-[2-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-2,6-dimethyl-1-naphthalenyl]ethyl]tetrahydro-6-oxo-2H-pyran-4-yl ester, (?R,?R,1S,2S,6R,8S,8aR)-; Simvastatin Impurity D
SIMVASTATIN IMPURITY D [EP IMPURITY]
Q27237034
SIMVASTATIN IMPURITY, SIMVASTATIN DIMER- [USP IMPURITY]
Simvastatin specified impurity D [EP]
Simvastatin dimer
Simvastatindimer
UNII-0OC7Z384H2
Simvastatin EP Impurity D
476305-24-5
Simvastatin impurity, simvastatin dimer- [USP]
0OC7Z384H2
AKOS027326650
(2R,4R)-2-(2-((1S,2S,6R,8S,8aR)-8-((2,2-dimethylbutanoyl)oxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl)-6-oxotetrahydro-2H-pyran-4-yl (3R,5R)-7-((1S,2S,6R,8S,8aR)-8-((2,2-dimethylbutanoyl)oxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoate

MDL Number

MFCD23160342

FAQ

What is Simvastatin dimer (CAS: 476305-24-5)?

Simvastatin dimer (CAS: 476305-24-5) is a chemical compound that consists of two molecules of simvastatin, a medication used to lower cholesterol levels. It is a stereoisomer of simvastatin and is not typically used for therapeutic purposes but is an important intermediate in the synthesis of simvastatin.

What are the main uses of Simvastatin dimer (CAS: 476305-24-5)?

Simvastatin dimer (CAS: 476305-24-5) is primarily used as a precursor for the synthesis of simvastatin, a cholesterol-lowering medication. It is not used directly in medical applications but is crucial for the production of the active drug.

Is Simvastatin dimer (CAS: 476305-24-5) safe?

Simvastatin dimer (CAS: 476305-24-5) is generally safe when handled with proper precautions, such as avoiding contact with skin and eyes. It is not intended for direct use by the general public and should be stored and managed in a laboratory setting with appropriate safety measures.

How should Simvastatin dimer (CAS: 476305-24-5) be stored?

Simvastatin dimer (CAS: 476305-24-5) should be stored in a cool, dry place away from direct sunlight and moisture. It should be kept in a tightly sealed container to prevent degradation. It is recommended to store it between 15°C and 25°C (59°F and 77°F) to ensure stability and safety.