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3S,5R isomer, or (3S,5R)-7-[3-(phenylcarbamoyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid calcium salt, is an isomeric impurity of Atorvastatin Calcium Salt (A791750). It is a complex organic compound with a unique molecular structure that plays a significant role in the pharmaceutical industry.

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  • Atorvastatin Related CoMpound B;3S,5R isoMer, or (3S,5R)-7-[3-(phenylcarbaMoyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid calciuM salt

    Cas No: 887196-25-0

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  • 3S,5R isoMer, or (3S,5R)-7-[3-(phenylcarbaMoyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid calciuM salt

    Cas No: 887196-25-0

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  • Atorvastatin Related Compound B (20 mg) (3S,5R isomer, or (3S,5R)-7-[3-(phenylcarbamoyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid calcium salt)

    Cas No: 887196-25-0

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  • 887196-25-0 Structure
  • Basic information

    1. Product Name: 3S,5R isoMer, or (3S,5R)-7-[3-(phenylcarbaMoyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid calciuM salt
    2. Synonyms: 3S,5R isoMer, or (3S,5R)-7-[3-(phenylcarbaMoyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid calciuM salt;Atorvastatin Related CoMpound B;Atorvastatin Related Compound B (20 mg) (3S,5R isomer, or (3S,5R)-7-[3-(phenylcarbamoyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid calcium salt);3-epi-Atorvastatin;calciuM (3S,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbaMoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate;Atorvastatin IMpurity-A(EP);Atorvastatin IMpurity-B(EP);Atorvastatin EP IMpurity B
    3. CAS NO:887196-25-0
    4. Molecular Formula: C33H34CaFN2O5+
    5. Molecular Weight: 597.7098632
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 887196-25-0.mol
  • Chemical Properties

    1. Melting Point: 160℃ (decomposition)
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: Refrigerator, Under Inert Atmosphere
    8. Solubility: Chloroform (Slightly), DMSO (Slightly, Heated, Sonicated), Methanol (Slightly)
    9. CAS DataBase Reference: 3S,5R isoMer, or (3S,5R)-7-[3-(phenylcarbaMoyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid calciuM salt(CAS DataBase Reference)
    10. NIST Chemistry Reference: 3S,5R isoMer, or (3S,5R)-7-[3-(phenylcarbaMoyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid calciuM salt(887196-25-0)
    11. EPA Substance Registry System: 3S,5R isoMer, or (3S,5R)-7-[3-(phenylcarbaMoyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid calciuM salt(887196-25-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 887196-25-0(Hazardous Substances Data)

887196-25-0 Usage

Uses

Used in Pharmaceutical Industry:
3S,5R isomer, or (3S,5R)-7-[3-(phenylcarbamoyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid calcium salt, is used as an isomeric impurity in the development and manufacturing of Atorvastatin Calcium Salt. 3S,5R isoMer, or (3S,5R)-7-[3-(phenylcarbaMoyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid calciuM salt is essential for ensuring the purity and quality of Atorvastatin, a drug specifically indicated for lowering elevated LDL-cholesterol and triglycerides in patients with hypercholesterolemia.
As an isomeric impurity, the 3S,5R isomer plays a crucial role in the quality control and regulatory compliance of Atorvastatin Calcium Salt. It helps in monitoring the manufacturing process, ensuring the drug's safety, efficacy, and consistency. Additionally, understanding the properties and behavior of this isomeric impurity can contribute to the optimization of the synthesis process and the development of new pharmaceutical products.

Check Digit Verification of cas no

The CAS Registry Mumber 887196-25-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,8,7,1,9 and 6 respectively; the second part has 2 digits, 2 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 887196-25:
(8*8)+(7*8)+(6*7)+(5*1)+(4*9)+(3*6)+(2*2)+(1*5)=230
230 % 10 = 0
So 887196-25-0 is a valid CAS Registry Number.

887196-25-0 Well-known Company Product Price

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  • (1044538)  Atorvastatin Related Compound B  United States Pharmacopeia (USP) Reference Standard

  • 887196-25-0

  • 1044538-20MG

  • 14,578.20CNY

  • Detail

887196-25-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, calcium salt (2:1), (βS,δR)-

1.2 Other means of identification

Product number -
Other names (3S,5R)-Atorvastatin Calcium Salt

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:887196-25-0 SDS

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