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기본 정보
- CAS
149949-05-3- 표준 SMILES
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@H](O)C2=C1[C@@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@@H](C)C=C2- InChIKey
PHYROLUQFDDXMM-LDTLXGEBSA-N- 분자식
- C25H38O6
- 평균 분자량
- 434.573 g/mol
- 단동위원소 질량
- 434.26683894
이름 및 식별자
- 우선 이름
- (1S,3R,4S,7S,8S)-4-Hydroxy-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,4,7,8-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
- IUPAC
- (1S,3R,4S,7S,8S)-4-Hydroxy-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,4,7,8-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
- 현지명
- 5'(S)-하이드록시심바스타틴DISCONTINUED
- 영어명
- 5'(S)-Hydroxy SiMvastatin DISCONTINUED
- 분자식
- C25H38O6
- 분자량
- 434.57
이름 및 동의어
5'(S)-하이드록시심바스타틴DISCONTINUEDSimvastatin Impurity 48Simvastatin Impurity 17(4S)-Hydroxy SimvastatinPHYROLUQFDDXMM-LDTLXGEBSA-N4'(S)-HYDROXY SIMVASTATIN DISCONTINUED5'(S)-Hydroxy SiMvastatin DISCONTINUED5'(S)-Hydroxy SiMvastatin DISCONTINUED(1R,3R,4S,7S,8S)-4-hydroxy-8-(2-((2R,4R)-2,2-DiMethylbutanoic Acid [1S-[1α,3α,4β,7β,8β(2S*,4S*)]]-1,2,3,4,7,8-Hexahydro-4-hydroxy-3,7-diMethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl Ester(1R,3R,4S,7S,8S)-4-hydroxy-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,4,7,8-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate? (Simvastatin Impurity）
데이터베이스 식별자
- CAS
149949-05-3- PubChem CID
- 21763233
- DTXSID
DTXSID40617757
물성
물리화학적 성질
- 끓는 점
- 604.14 · 604.140±55.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.163 · 1.163±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 13.493 · 13.493±0.40(predicted)
화학 및 산업
응용 분야
용도A derivative of Simvastatin. An isomer of 3’(S)-Hydroxy Simvastatin.
공급사16 곳
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