MedKoo Cat#: 593040 | Name: Desfluoroatorvastatin

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Desfluoroatorvastatin is an impurity created during the synthesis of Atorvastatin. Atorvastatin is a competitive HMG-CoA reductase inhibitor and is the only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglycerides in patients with hypercholesterolemia.

Chemical Structure

Desfluoroatorvastatin
Desfluoroatorvastatin
CAS#433289-84-0

Theoretical Analysis

MedKoo Cat#: 593040

Name: Desfluoroatorvastatin

CAS#: 433289-84-0

Chemical Formula: C33H36N2O5

Exact Mass: 540.2624

Molecular Weight: 540.66

Elemental Analysis: C, 73.31; H, 6.71; N, 5.18; O, 14.80

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Related CAS #
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Synonym
Desfluoroatorvastatin
IUPAC/Chemical Name
1H-Pyrrole-1-heptanoic acid, beta,delta-dihydroxy-2-(1-methylethyl)-4,5-diphenyl-3-((phenylamino)carbonyl)-, (betaR,deltaR)-
InChi Key
SWFBJYRYCRZMSB-KAYWLYCHSA-N
InChi Code
InChI=1S/C33H36N2O5/c1-22(2)31-30(33(40)34-25-16-10-5-11-17-25)29(23-12-6-3-7-13-23)32(24-14-8-4-9-15-24)35(31)19-18-26(36)20-27(37)21-28(38)39/h3-17,22,26-27,36-37H,18-21H2,1-2H3,(H,34,40)(H,38,39)/t26-,27-/m1/s1
SMILES Code
O=C(O)C[C@H](O)C[C@H](O)CCN1C(C(C)C)=C(C(NC2=CC=CC=C2)=O)C(C3=CC=CC=C3)=C1C4=CC=CC=C4
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 540.66 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Ertürk S, Sevinç Aktaş E, Ersoy L, Fiçicioğlu S. An HPLC method for the determination of atorvastatin and its impurities in bulk drug and tablets. J Pharm Biomed Anal. 2003 Dec 4;33(5):1017-23. PubMed PMID: 14656592.