Potassium 3-[(4aS,4bR,5aR,6aS,7R,9aS,9bR,10R)-7-hydroxy-10-(methoxycarbonyl)-4a,6a-dimethyl-2-oxo-2,3,4,4a,5a,6,6a,7,8,9,9a,9b,10,11-tetradecahydrocyclopenta[7,8]phenanthro[4b,5-b]oxiren-7-yl]propanoa te (non-preferred name)

Basic Information

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CAS Number

95716-98-6

Molecular Formula

C24H31KO7

Molecular Weight

470.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

SMILES

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CC12CCC(=O)C=C1CC(C3C24C(O4)CC5(C3CCC5(CCC(=O)[O-])O)C)C(=O)OC.[K+]

InChI

InChI=1S/C24H32O7.K/c1-21-7-4-14(25)10-13(21)11-15(20(28)30-3)19-16-5-8-23(29,9-6-18(26)27)22(16,2)12-17-24(19,21)31-17;/h10,15-17,19,29H,4-9,11-12H2,1-3H3,(H,26,27);/q;+1/p-1/t15-,16+,17-,19+,21+,22+,23-,24-;/m1./s1

InChIKey

PRKXKJMKEHYPBV-PUDZRVQSSA-M

LogP

2.1867

Topological Polar Surface Area

102.43000000000002 Å²

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

901

Synonyms & References

English

Eplerenone EP Impurity F Potassium Salt
Q27251491
Eplerenone hydroxyacid potassium
SC-70303
Pregn-4-ene-7,21-dicarboxylic acid, 9,11-epoxy-17-hydroxy-3-oxo-, 7-methyl ester, potassium salt (1:1), (7alpha,11alpha,17alpha)-
potassium;3-[(1R,2S,9R,10R,11S,14R,15S,17R)-14-hydroxy-9-methoxycarbonyl-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-14-yl]propanoate
95716-98-6
SCHEMBL10948684
PREGN-4-ENE-7,21-DICARBOXYLIC ACID, 9,11-EPOXY-17-HYDROXY-3-OXO-, 7-METHYL ESTER, POTASSIUM SALT (1:1), (7.ALPHA.,11.ALPHA.,17.ALPHA.)-
1385Q51VEM
SC70303
Eplerenone Hydroxyacid Potassium Salt
UNII-1385Q51VEM
9,11alpha-Epoxy-17-hydroxy-7alpha-(methoxycarbonyl)-3-oxo-17alpha-pregn-4-ene-21-carboxylic Acid Potassium Salt
Pregn-4-ene-7,21-dicarboxylicacid, 9,11-epoxy-17-hydroxy-3-oxo-, 7-methyl ester, monopotassium salt, (7a,11a,17a)- (9CI)
Pregn-4-ene-7,21-dicarboxylicacid, 9,11-epoxy-17-hydroxy-3-oxo-, 7-methyl ester, monopotassium...
7-Methyl Ester Monopotassium Salt
3-((4aS,4bR,5aR,6aS,7R,9aS,9bR,10R)-7-hydroxy-10-(methoxycarbonyl)-4a,6a-dimethyl-2-oxo-2,3,4,4a,5a,6,6a,7,8,9,9a,9b,10,11-tetradecahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-7-yl)propanoic acid
potassium salt (1:1)

MDL Number

MFCD11982550

FAQ

What regulatory guidelines apply to Potassium 3-[(4aS,4bR,5aR,6aS,7R,9aS,9bR,10R)-7-hydroxy-10-(methoxycarbonyl)-4a,6a-dimethyl-2-oxo-2,3,4,4a,5a,6,6a,7,8,9,9a,9b,10,11-tetradecahydrocyclopenta[7,8]phenanthro[4b,5-b]oxiren-7-yl]propanoa (CAS: 95716-98-6)?

The compound is subject to various regulatory guidelines including GHS classification, which may categorize it under specific hazard classes. REACH regulations require detailed safety data sheets and registration for substances above 1 tonne annually. The FDA and EPA may also have specific requirements related to its import, use, and disposal.

Are there alternatives to Potassium 3-[(4aS,4bR,5aR,6aS,7R,9aS,9bR,10R)-7-hydroxy-10-(methoxycarbonyl)-4a,6a-dimethyl-2-oxo-2,3,4,4a,5a,6,6a,7,8,9,9a,9b,10,11-tetradecahydrocyclopenta[7,8]phenanthro[4b,5-b]oxiren-7-yl]propanoa (CAS: 95716-98-6) in synthesis?

Alternative reagents, such as similar functionalized cyclopentaphenanthrene derivatives or simpler alkoxycarbonyl compounds, could be used as alternatives. However, the choice of alternative primarily depends on the specific reaction conditions and the desired end-product properties.

What is the market or research trend for Potassium 3-[(4aS,4bR,5aR,6aS,7R,9aS,9bR,10R)-7-hydroxy-10-(methoxycarbonyl)-4a,6a-dimethyl-2-oxo-2,3,4,4a,5a,6,6a,7,8,9,9a,9b,10,11-tetradecahydrocyclopenta[7,8]phenanthro[4b,5-b]oxiren-7-yl]propanoa (CAS: 95716-98-6)?

There is ongoing research into new applications for this compound, particularly in pharmaceuticals and materials science. Market trends suggest increased interest in novel chemical entities for therapeutic and industrial uses, alongside cost reductions and efficiency improvements in synthesis and purification processes.

How should waste containing Potassium 3-[(4aS,4bR,5aR,6aS,7R,9aS,9bR,10R)-7-hydroxy-10-(methoxycarbonyl)-4a,6a-dimethyl-2-oxo-2,3,4,4a,5a,6,6a,7,8,9,9a,9b,10,11-tetradecahydrocyclopenta[7,8]phenanthro[4b,5-b]oxiren-7-yl]propanoa (CAS: 95716-98-6) be handled?

Waste containing this compound should be collected in a sealed container and disposed of according to local regulations. Incineration or professional waste disposal services are recommended. Ensure proper environmental protection measures are in place, including the use of appropriate protective equipment and facilities to prevent contamination of the environment.

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

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Compound Q&A

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Potassium 3-[(4aS,4bR,5aR,6aS,7R,9aS,9bR,10R)-7-hydroxy-10-(methoxycarbonyl)-4a,6a-dimethyl-2-oxo-2,3,4,4a,5a,6,6a,7,8,9,9a,9b,10,11-tetradecahydrocyclopenta[7,8]phenanthro[4b,5-b]oxiren-7-yl]propanoa te (non-preferred name) | CAS No. 95716-98-6

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Synonyms & References

English

MDL Number

FAQ

What regulatory guidelines apply to Potassium 3-[(4aS,4bR,5aR,6aS,7R,9aS,9bR,10R)-7-hydroxy-10-(methoxycarbonyl)-4a,6a-dimethyl-2-oxo-2,3,4,4a,5a,6,6a,7,8,9,9a,9b,10,11-tetradecahydrocyclopenta[7,8]phenanthro[4b,5-b]oxiren-7-yl]propanoa (CAS: 95716-98-6)?

Are there alternatives to Potassium 3-[(4aS,4bR,5aR,6aS,7R,9aS,9bR,10R)-7-hydroxy-10-(methoxycarbonyl)-4a,6a-dimethyl-2-oxo-2,3,4,4a,5a,6,6a,7,8,9,9a,9b,10,11-tetradecahydrocyclopenta[7,8]phenanthro[4b,5-b]oxiren-7-yl]propanoa (CAS: 95716-98-6) in synthesis?

What is the market or research trend for Potassium 3-[(4aS,4bR,5aR,6aS,7R,9aS,9bR,10R)-7-hydroxy-10-(methoxycarbonyl)-4a,6a-dimethyl-2-oxo-2,3,4,4a,5a,6,6a,7,8,9,9a,9b,10,11-tetradecahydrocyclopenta[7,8]phenanthro[4b,5-b]oxiren-7-yl]propanoa (CAS: 95716-98-6)?

How should waste containing Potassium 3-[(4aS,4bR,5aR,6aS,7R,9aS,9bR,10R)-7-hydroxy-10-(methoxycarbonyl)-4a,6a-dimethyl-2-oxo-2,3,4,4a,5a,6,6a,7,8,9,9a,9b,10,11-tetradecahydrocyclopenta[7,8]phenanthro[4b,5-b]oxiren-7-yl]propanoa (CAS: 95716-98-6) be handled?

Related Compounds

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Hubei Qingbei Yunchen Medicine Technology Co., Ltd.

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