Simvastatin Impurity 17

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Catalogue No.:	VE0026528
CAS No.:	N/A
Mol. Formula:	C42H79NO5Si2
Mol. Weight:	734.25 g/mol

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Additional information on

Parent drug

Simvastatin

IUPAC Name

[(1S,3R,7S,8S,8aR)-8-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[butyl(methyl)amino]-7-oxoheptyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate

Smiles

O=C(C(C)(CC)C)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)CC(N(CCCC)C)=O)[C@@]12[H]

InChI

InChI=1S/C42H79NO5Si2/c1-18-20-25-43(13)37(44)29-34(48-50(16,17)41(8,9)10)28-33(47-49(14,15)40(5,6)7)23-24-35-31(4)21-22-32-26-30(3)27-36(38(32)35)46-39(45)42(11,12)19-2/h21-22,26,30-31,33-36,38H,18-20,23-25,27-29H2,1-17H3/t30-,31-,33+,34+,35-,36-,38-/m0/s1

Description

Simvastatin Impurity 17 is a process-related degradation product encountered during simvastatin synthesis and storage. Characterized by LC retention behavior and confirmed by high resolution mass spectrometry and 1H NMR, this impurity is routinely monitored in stability and release testing to meet ICH Q3A/B thresholds. Its formation is attributed to lactone ring opening and side chain oxidation under acidic or oxidative conditions. Analytical control strategies include validated HPLC methods with diode array detection and MS confirmation, specification limits, and forced degradation studies to assess impact on potency and safety. Accurate identification and quantification ensure robust impurity profiling for quality assurance.