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(3S,5S)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid | CAS No. 110862-48-1

(3S,5S)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid

Basic Information

Chemical_Structure_Of
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CAS Number

110862-48-1

Molecular Formula

C33H35FN2O5

Molecular Weight

558.65 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Fine Chemicals Specialty Chemicals UV Stabilizers
Agricultural Chemicals Pesticides Herbicides
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m0/s1

InChIKey

XUKUURHRXDUEBC-SVBPBHIXSA-N

LogP

6.313600000000007

Topological Polar Surface Area

111.79000000000002 Ų

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

822

Synonyms & References

English

  • BRD-K69726342-001-02-6
  • Sortis (TN)
  • (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
  • (3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-4-phenyl-2-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
  • CI-981
  • A0JWA85V8F
  • DTXSID60274003
  • Tox21_302417
  • 7-(2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL)-3,5-DIHYDROXY-HEPTANOIC ACID
  • EN300-18527331
  • Atorvastatin & Primycin
  • NS00009054
  • rel-Atorvastatin
  • (3R,5R)-7-[2-(4-FLUOROPHENYL)-3-PHENYL-4-(PHENYLCARBAMOYL)-5-PROPAN-2-YL-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID
  • UNII-A0JWA85V8F
  • 1H-PYRROLE-1-HEPTANOIC ACID, 2-(4-FLUOROPHENYL)-.BETA.,.DELTA.-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-, (R-(R*,R*))-
  • Atorvastatin is known as an HMG-CoA reductase inhibitor.
  • Lipitor(TM)
  • Tozalip
  • HSDB 7039
  • A806791
  • Atorlip
  • AC-9386
  • ATORVASTATIN CALCIUM
  • atrovastin
  • Atofast
  • sodium 7-[5-(4-fluorophenyl)-2-isopropyl-4-phenyl-3-(phenylcarbamoyl)-2,3-dihydropyrrol-1-yl]-3,5-dihydroxy-heptanoate
  • HY-B0589
  • Lipilou
  • atorvastatin
  • A802259

MDL Number

MFCD00899261

Customs Code

2942000000

FAQ

What are the physical and chemical properties of (3S,5S)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid (CAS: 110862-48-1)?
This compound is a crystalline solid with a molecular weight of approximately 528.4 g/mol. It has a solubility of about 1 mg/mL in water. The compound is reactive towards acidic conditions and has low reactivity under neutral conditions. It is stable under normal laboratory conditions but should be stored in a dry, cool place to prevent degradation.

How is (3S,5S)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid (CAS: 110862-48-1) typically synthesized?
This compound can be synthesized through multi-step organic synthesis involving coupling reactions, amidation, and cyclization. Commonly used catalysts include EDC and HOBT. The overall yield is moderate, around 50-70%, and the method is selective for the desired product. Detailed synthetic routes are available in the literature and patent databases.

What industries use (3S,5S)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid (CAS: 110862-48-1)?
This compound is primarily used in the pharmaceutical industry for drug discovery and development. It also finds applications in the sensor industry due to its unique chemical properties. Some researchers explore its use in semiconductors and polymers, though its applications in these areas are less common.

What precautions should be taken when handling (3S,5S)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid (CAS: 110862-48-1)?
Handle this compound in a well-ventilated fume hood and wear appropriate personal protective equipment (PPE) such as gloves, lab coat, and safety goggles. Avoid skin and eye contact. Spills should be cleaned up immediately using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures. Storage should be in a cool, dry place away from direct sunlight and other oxidizing agents.

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(3S,5S)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid — ShangHaiYiJiShengWuKeJiYouXianGongSiXiaoShouBu

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(3S,5S)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid — Shanghai Hanxiang Biotechnology Co., Ltd.

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(3S,5S)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid — HuBeiYongKuo Technology Co Ltd

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(3S,5S)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid — Shanghai Yuyeh Biotechnology Co., Ltd.

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(3S,5S)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid — ShenZhenZhenJiangShengWuJiShu Co Ltd

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