MedKoo Cat#: 573314 | Name: Fluoroatorvastatin

Description:

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

Fluoroatorvastatin is an Atorvastatin impurity.

Chemical Structure

Fluoroatorvastatin
Fluoroatorvastatin
CAS#693794-20-6

Theoretical Analysis

MedKoo Cat#: 573314

Name: Fluoroatorvastatin

CAS#: 693794-20-6

Chemical Formula: C33H34F2N2O5

Exact Mass: 576.2436

Molecular Weight: 576.64

Elemental Analysis: C, 68.74; H, 5.94; F, 6.59; N, 4.86; O, 13.87

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Synonym
Atorvastatin calcium trihydrate impurity C, Fluoroatorvastatin
IUPAC/Chemical Name
(3R,5R)-7-(2,3-Bis(4-fluorophenyl)-5-(1-methylethyl)-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acid
InChi Key
UNKLVVGSJZVOBR-KAYWLYCHSA-N
InChi Code
1S/C33H34F2N2O5/c1-20(2)31-30(33(42)36-25-6-4-3-5-7-25)29(21-8-12-23(34)13-9-21)32(22-10-14-24(35)15-11-22)37(31)17-16-26(38)18-27(39)19-28(40)41/h3-15,20,26-27,38-39H,16-19H2,1-2H3,(H,36,42)(H,40,41)/t26-,27-/m1/s1
SMILES Code
CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccc(cc3)F)C(=O)Nc4ccccc4
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
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 576.64 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.