Sodium (3R,5S,6E)-7-[1-ethyl-3-(4-fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate | CAS No. 93936-64-2

Sodium (3R,5S,6E)-7-[1-ethyl-3-(4-fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate

Basic Information

CAS Number

93936-64-2

Molecular Formula

C23H23FNNaO4

Molecular Weight

419.43 g/mol

AD

Basic Physical Properties

CCN1C2=CC=CC=C2C(=C1C=CC(CC(CC(=O)[O-])O)O)C3=CC=C(C=C3)F.[Na+]

InChI

InChI=1S/C23H24FNO4.Na/c1-2-25-20-6-4-3-5-19(20)23(15-7-9-16(24)10-8-15)21(25)12-11-17(26)13-18(27)14-22(28)29;/h3-12,17-18,26-27H,2,13-14H2,1H3,(H,28,29);/q;+1/p-1/b12-11+;/t17-,18-;/m1./s1

InChIKey

KTBBQAQDAUENCT-HDPLEABFSA-M

LogP

3.609200000000003

Topological Polar Surface Area

71.69 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

569

Synonyms & References

English

  • 6-HEPTENOIC ACID, 7-(1-ETHYL-3-(4-FLUOROPHENYL)-1H-INDOL-2-YL)-3,5-DIHYDROXY-, MONOSODIUM SALT, (R*,S*-(E))-
  • Fluvastatin N-Ethyl Sodium Salt (Fluvastatin Impurity)
  • 6-HEPTENOIC ACID, 7-(1-ETHYL-3-(4-FLUOROPHENYL)-1H-INDOL-2-YL)-3,5-DIHYDROXY-, SODIUM SALT (1:1), (3R,5S,6E)-REL-
  • Q27271494
  • Fluvastatin N-ethyl sodium
  • UNII-92B8U56717
  • 92B8U56717
  • starbld0022613
  • 6-HEPTENOIC ACID, 7-(1-ETHYL-3-(4-FLUOROPHENYL)-1H-INDOL-2-YL)-3,5-DIHYDROXY-, MONOSODIUM SALT, (R*,S*-(E))-(+/-)-
  • Sodium rel-(3R,5S,E)-7-(1-ethyl-3-(4-fluorophenyl)-1H-indol-2-yl)-3,5-dihydroxyhept-6-enoate
  • 93936-64-2
  • (R*,S*-E)-(+/-)-7-(3-(4-FLUOROPHENYL)-1-ETHYL-1H-INDOL-2-YL)-3,5-DIHYDROXY-6-HEPTENOIC ACID MONOSODIUM SALT
  • 6-Heptenoic acid,7-[1-ethyl-3-(4-fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxy-, sodium salt (1:1),(3R,5S,6E)-rel-
  • 6-Heptenoic acid,7-[1-ethyl-3-(4-fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxy-, sodium salt (1:1...
  • sodium,(E,3R,5S)-7-[1-ethyl-3-(4-fluorophenyl)indol-2-yl]-3,5-dihydroxyhept-6-enoate
  • [R*,S*-(E)]-(+/-)-7-[1-Ethyl-3-(4-fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoic Acid Monosodium Salt

MDL Number

MFCD18252627

FAQ

What are the physical and chemical properties of Sodium (3R,5S,6E)-7-[1-ethyl-3-(4-fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate (CAS: 93936-64-2)?

Sodium (3R,5S,6E)-7-[1-ethyl-3-(4-fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate is a crystalline compound with a molecular weight of approximately 438.37 g/mol. It has a solubility of 1.5 g/L in water and is stable under normal conditions. It is reactive towards bases and can undergo hydrolysis. The compound is poorly soluble in common organic solvents such as ethanol and acetone.

How is Sodium (3R,5S,6E)-7-[1-ethyl-3-(4-fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate (CAS: 93936-64-2) typically synthesized?

Sodium (3R,5S,6E)-7-[1-ethyl-3-(4-fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate is synthesized through a multistep process involving condensation reactions, protecting group manipulations, and deprotection. Commonly, Pd/C or similar catalysts are used to achieve good selectivity and yield. The final product is typically isolated by column chromatography and recrystallization.

What industries use Sodium (3R,5S,6E)-7-[1-ethyl-3-(4-fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate (CAS: 93936-64-2)?

This compound is primarily used in the pharmaceutical industry for the development of novel drugs. It may also find applications in the polymer industry for specific polymer modifications, and in the sensor industry for the development of chemical and bio-sensing devices. Additionally, it could have potential uses in the semiconductor industry for certain electronic applications.

What precautions should be taken when handling Sodium (3R,5S,6E)-7-[1-ethyl-3-(4-fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate (CAS: 93936-64-2)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. In case of a spill, it is recommended to use appropriate absorbent materials and dispose of them according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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