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1105067-93-3Atorvastatin EP Impurity J
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| Catalogue No.: | VE008374 |
|---|---|
| CAS No.: | 1105067-93-3 |
| Mol. Formula: | C33H33FN2O4 |
| Mol. Weight: | 540.64 g/mol |
Additional information on CAS 1105067-93-3
Parent drug
AtorvastatinIUPAC Name
(2E,5S)-7-[2-(4-fIuorophenyI)-3-phenyI-4-(phenyIcarbamoyI)-5-(propan-2-yI)-1H-pyrroI-1-yI]-5-hydroxyhept-2- enoic acidPharmacopoeial Synonyms
Atorvastatin 3-Deoxy-Hept-2-Enoic AcidOther Synonyms
2,3-Anhydro Atorvastatin; Dehydro Atorvastatin Acid; (2E)-2,3-Dehydroxy AtorvastatinSmiles
CC(C)C1=C(C(=C(N1CC[C@H](C/C=C/C(=O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4InChI
InChI=1S/C33H33FN2O4/c1-22(2)31-30(33(40)35-26-12-7-4-8-13-26)29(23-10-5-3-6-11-23)32(24-16-18-25(34)19-17-24)36(31)21-20-27(37)14-9-15-28(38)39/h3-13,15-19,22,27,37H,14,20-21H2,1-2H3,(H,35,40)(H,38,39)/b15-9+/t27-/m0/s1Description
Atorvastatin EP Impurity J, also described as Atorvastatin 3-Deoxy-Hept-2-Enoic Acid, 2,3-Anhydro Atorvastatin, or Dehydro Atorvastatin Acid, is a defined process-related degradant of the atorvastatin scaffold rather than a simple stereoisomer. CAS 1105067-93-3 corresponds to a neutral free-base species with formula C33H33FN2O4 and molecular weight 540.64 g/mol. The structure reflects dehydration and double-bond migration within the heptenoic acid side chain, consistent with elimination during synthesis or thermal, acidic, or oxidative stress. Structural assignment and quantification typically require LC-MS/MS, high-resolution MS, and NMR, with UV and forced-degradation profiling supporting impurity control.References
Atorvastatin By Lindsey A McIver, Momin S Siddique Container: Nih.gov Publisher: StatPearls Publishing Year: 2021 URL: https://www.ncbi.nlm.nih.gov/books/NBK430779/Request a Quote
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