Sodium (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]heptanoate

Basic Information

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CAS Number

81131-70-6

Molecular Formula

C23H35NaO7

Molecular Weight

446.5 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

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

154-160 ºC

Boiling Point

634.5°C at 760 mmHg

Flash Point

No data available

Solubility

H2O: 19 mg/mL

Vapor Pressure

No data available

Specific Rotation

+153° ~ +160° (c=0.5, H2O)

SMILES

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CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)[O-])O)O)O.[Na+]

InChI

InChI=1S/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16+,17+,18+,19-,20-,22-;/m0./s1

InChIKey

VWBQYTRBTXKKOG-IYNICTALSA-M

LogP

2.44040

Complexity

662

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 9 Class 9

Sensitiveness

对热敏感

Synonyms & References

English

NSC-759253
PRAVASTATIN SODIUM [MI]
MFCD00887601
NCGC00092370-01
Q27108059
Lipidal
PRAVASTATIN SODIUM [ORANGE BOOK]
SODIUM (+)-(betaR,DR,1S,2S,6S,8S,8AR)-1,2,6,7,8,8A-HEXAHYDRO-beta,D,6,8-TETRAHYDROXY-2-METHYL-1-NAPHTHALENEHEPTANOATE, 8-((2S)-2-METHYLBUTYRATE)
Eptastatin sodium
BP164292
Selipran
HY-B0165A
1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-2-methyl-8-(2-methyl-1-oxobutoxy)-beta,delta,6-trihydroxy-, monosodium salt, (1S-(1-alpha(beta-S*,delta-S*),2-alpha,6-alpha,8-beta(R*),8a-alpha))-
PRAVASTATIN SODIUM [WHO-DD]
Pravastatin, Sodium Salt
Bristacol
Pravacol
AMY40517
CHEBI:8361
CS-514
Pravastatinsodium,(S)
3-beta-Hydroxycompactin sodium salt
DTXSID6047525
DRG-0319
hexahydronaphthalen-1-yl)heptanoate
P1796
D00893
1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-beta,delta,6-trihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, monosodium salt, (1S-(1alpha(betaS*,deltaS*),2alpha,6alpha,8beta(R*),8aalpha))-
PRAVASTATIN SODIUM [USAN]
NSC 759253
Lipostat

MDL Number

MFCD18253021

Customs Code

2932999099

FAQ

What is Sodium (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]heptanoate (CAS: 81131-70-6)?

Sodium (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]heptanoate (CAS: 81131-70-6) is a complex organic compound with a sodium salt structure. It contains multiple hydroxyl and ester functional groups, making it a potential candidate for pharmaceutical applications. The compound is known for its stereochemical complexity, with specific configurations at several chiral centers.

What are the main uses of Sodium (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]heptanoate (CAS: 81131-70-6)?

This compound is primarily used in pharmaceutical research as a potential drug candidate. It may have applications in the development of treatments for metabolic disorders and neurological conditions due to its structural features. In industrial settings, it may be used as a chemical intermediate. Its use in food or consumer products is limited and not widely documented.

Is Sodium (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]heptanoate (CAS: 81131-70-6) safe?

Sodium (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]heptanoate (CAS: 81131-70-6) is generally considered safe when handled properly. However, as with many organic compounds, it requires careful handling to avoid exposure. Protective measures such as gloves, goggles, and proper ventilation should be used. Safety data sheets should be consulted for specific guidelines.

How should Sodium (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]heptanoate (CAS: 81131-70-6) be stored?

Sodium (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]heptanoate (CAS: 81131-70-6) should be stored in a cool, dry, and dark place. It is recommended to keep it in a sealed container to prevent moisture exposure. Storage at temperatures below 25°C is advisable, and it should be protected from light to maintain stability and prevent degradation.