Atorvastatin Related Compound B, CAS 887196-25-0은 atorvastatin의 (3S,5R) 입체이성질체 칼슘염으로, Calcium salt-C66H68CaF2N4O10 및 Free Base-C33H35FN2O5에 해당하며 분자량은 각각 1155.34 g/mol과 558.64 g/mol이다. 이 불순물은 절단성 분해물보다는 디아스테레오머 이성질체에 속한다. 생성은 비대칭 합성 과정 또는 3,5-디하이드록시헵타노에이트 골격에서의 입체화학적 에피머화와 관련될 수 있다. 검출과 정량에는 역상 LC-MS, LC-MS/MS 및 키랄 크로마토그래피가 통상 필요하며, 입체배열 확인과 극미량 이성질체 함량 평가는 NMR으로 보완한다.
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