Atorvastatin Related Compound C (Ca Salt)
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693793-53-2Atorvastatin Related Compound C (Ca Salt)

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Catalogue No.:VL10005
CAS No.:693793-53-2
Mol. Formula:C66H66CaF4N4O10
Mol. Weight:1191.34 g/mol

Additional information on CAS 693793-53-2

Parent drug

Atorvastatin

IUPAC Name

(3R,5R)-7-[2,3-bis(4-fIuorophenyI)-4-(phenyIcarbamoyI)-5-(propan-2-yI)-1 H-pyrroI-1-yI]-3,5-dihydroxyheptanoic acid Calcium Salt(1:2)

Pharmacopeial Synonyms

Atorvastatin Related compound C Calcium salt; Atorvastatin Difluoro Impurity Calcium salt; Fluoroatorvastatin Calcium salt

Synonyms

N/A

Smiles

[Ca+2].CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccc(F)cc3)c(c4ccc(F)cc4)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c5c(C(=O)Nc6ccccc6)c(c7ccc(F)cc7)c(c8ccc(F)cc8)n5CC[C@@H](O)C[C@@H](O)CC(=O)[O-]

InChI

InChI=1S/2C33H34F2N2O5.Ca/c2*1-20(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;/h2*3-15,20,26-27,38-39H,16-19H2,1-2H3,(H,36,42)(H,40,41);/q;;+2/p-2/t2*26-,27-;/m11./s1

Description

Atorvastatin EP Impurity C, also designated Atorvastatin Related Compound C, Atorvastatin Difluoro Impurity, or Fluoroatorvastatin, is a fluorinated atorvastatin analogue present as the calcium salt (CAS 693793-53-2). With molecular formula C66H66CaF4N4O10 and molecular weight 1191.34 g/mol, it reflects halogen introduction at the aryl substitution pattern of the statin scaffold rather than a simple degradant. Such species typically arise from synthetic impurity carryover or misincorporation during late-stage coupling and require orthogonal characterization by LC-MS/MS, high-resolution MS, and ideally 19F NMR with LC-UV profiling for low-level quantification under impurity control frameworks.

References

Agrawal, Deepak, et al. ‘To Study the Effect of High Dose Atorvastatin 40 Mg versus 80 Mg in Patients with Dyslipidemia.’ Indian Heart Journal, vol. 70, Dec. 2018, pp. S8–12, https://doi.org/10.1016/j.ihj.2018.01.034.

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