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Ammonium (3R,5R)-7-{(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl}-3,5-dihydroxyheptanoate | CAS No. 139893-43-9

Ammonium (3R,5R)-7-{(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl}-3,5-dihydroxyheptanoate

Basic Information

Chemical_Structure_Of
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CAS Number

139893-43-9

Molecular Formula

C25H43NO6

Molecular Weight

453.6 g/mol

AD

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 Amines
Fine Chemicals Surfactants Anionic Surfactants
Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

160-163°C

Specific Rotation

+267.800° (c=0.5, DMF/H2O=1:1)

SMILES

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CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)[O-])O)O)C.[NH4+]

InChI

InChI=1S/C25H40O6.H3N/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);1H3/t15-,16-,18+,19+,20-,21-,23-;/m0./s1

InChIKey

FFPDWNBTEIXJJF-OKDJMAGBSA-N

LogP

4.42960

Complexity

689

Safety Information

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Hazard Statement

H351 Suspected of causing cancer
Carcinogenicity
H360 May damage fertility or the unborn child
Reproductive toxicity
H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

  • (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 ammonium salt
  • Simvastatin Hydroxy Acid Ammonium Salt
  • Ammonium (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
  • EC 604-165-5
  • Simvastatin acid (ammonium)
  • UNII-76RD797JAX
  • SCHEMBL2987588
  • azanium;(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
  • 139893-43-9
  • HY-119695A
  • 1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-.beta.,.delta.-dihydroxy-2,6-dimethyl-, ammonium salt (1:1), (.beta.R,.delta.R,1S,2S,6R,8S,8aR)-
  • (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-dihydroxyheptanoic Acid Ammonium Salt (Tenivastatin Ammonium Salt)
  • 76RD797JAX
  • 1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-b,D-dihydroxy-2,6-dimethyl-, monoammonium salt, (br,dr,1S,2S,6R,8S,8aR)- (9ci);
  • Simvastatin Carboxylic Acid Ammonium Salt
  • Tenivastatin (ammonium)
  • Tenivastatin ammonium
  • Azane;7-[8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
  • FFPDWNBTEIXJJF-OKDJMAGBSA-N
  • J-007330
  • Simvastatinammoniumsalt
  • Ammonium simvastatin
  • CS-0079236
  • Simvastatin acid ammonium salt
  • Simvastatin ammonium salt
  • DTXSID60449890
  • (betaR,deltaR,1S,2S,6R,8S,8aR)-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoic Acid Ammonium Salt
  • Simvastatin Hydroxy Acid, Ammonium Salt
  • NS00078152
  • A885934
  • Ammonium (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

MFCD07773041

FAQ

What is (3R,5R)-7-{(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl}-3,5-dihydroxyheptanoate (CAS: 139893-43-9)?
This compound, also known as ammonium (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]-3,5-dihydroxyheptanoate, is a complex organic compound with a specific stereochemistry, characterized by its ability to form salts with ammonium ions. It is used in various applications due to its unique structure and reactivity.

What are the main uses of (3R,5R)-7-{(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl}-3,5-dihydroxyheptanoate (CAS: 139893-43-9)?
This compound is primarily used in pharmaceutical formulations as a prodrug, research reagents in organic synthesis, and as intermediates in the production of other chemical compounds. It is also explored for its potential in various industrial applications, including coatings and adhesives.

Is (3R,5R)-7-{(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl}-3,5-dihydroxyheptanoate (CAS: 139893-43-9) safe?
The safety of this compound depends on the intended use and the conditions under which it is handled. It should be used with appropriate safety precautions, including the use of gloves and protective eyewear. It is important to follow the recommended guidelines for handling and disposal to minimize risks.

How should (3R,5R)-7-{(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl}-3,5-dihydroxyheptanoate (CAS: 139893-43-9) be stored?
This compound should be stored in a cool, dry place, away from direct sunlight and sources of heat. It should be kept in a tightly sealed container to prevent exposure to moisture. Storage temperatures should be maintained between 15°C and 25°C to ensure stability and minimize degradation.

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Supplier Information

Ammonium (3R,5R)-7-{(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl}-3,5-dihydroxyheptanoate — HePeng （ ShangHai ） Biotechnology Co Ltd

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Ammonium (3R,5R)-7-{(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl}-3,5-dihydroxyheptanoate — ShangHaiJiZhiShengHua Technology Co Ltd

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Ammonium (3R,5R)-7-{(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl}-3,5-dihydroxyheptanoate — Leyan Reagents

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Ammonium (3R,5R)-7-{(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl}-3,5-dihydroxyheptanoate — Beijing Bailingwei Technology Co., Ltd.

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