로바스타틴이량체
[2-[2-[2,6-Dimethyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-6-oxooxan-4-yl] 7-[2,6-dimethyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
기본 정보
- CAS
149756-62-7- 표준 SMILES
CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)OC3CC(=O)OC(CCC4C(C)C=CC5=CC(C)CC(OC(=O)C(C)CC)C54)C3)C21- InChIKey
GZGUDHDMNATZDU-UHFFFAOYSA-N- 분자식
- C48H72O10
- 평균 분자량
- 809.1 g/mol
- 단동위원소 질량
- 808.51254849
이름 및 식별자
- 우선 이름
- [2-[2-[2,6-Dimethyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-6-oxooxan-4-yl] 7-[2,6-dimethyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
- IUPAC
- [2-[2-[2,6-dimethyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-6-oxooxan-4-yl] 7-[2,6-dimethyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
- 현지명
- 로바스타틴이량체
- 영어명
- Lovastatin DiMer
- 분자식
- C48H72O10
- 분자량
- 809.08
이름 및 동의어
Lovastatin Dimer로바스타틴이량체Lovastatin Impurity DLovastatin EP IMpurity DLovastatin Impurity 4(Lovastatin EP Impurity D)[1S-[1α[2S*,4S*[βS*,δS*[1R*,2R*,6S*,8R*(R*)]]],2α,6β,8δ(R*)]]-1,2,6,7,8,8a-Hexahydro-.beta.,.delta.-dihydroxy-2,6-diMethyl-8-(2-Methyl-1-oxobutoxy)-Lovastatin DimerQ: What is Lovastatin Dimer Q: What is the CAS Number of Lovastatin Dimer Q: What is the storage condition of Lovastatin Dimer Q: What are the applications of Lovastatin Dimer(2R,4R)-2-[2-[(1S,2S,6R,8S,8aR)-2,6-Dimethyl-8-[[(2S)-2-methylbutanoyl]oxy]-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-6-oxotetrahydro-2H-pyran-4-yl (3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-dimethyl-8-[[(2S2-(2-(2,6-dimethyl-8-((2-methylbutanoyl)oxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl)-6-oxotetrahydro-2H-pyran-4-yl 7-(2,6-dimethyl-8-((2-methylbutanoyl)oxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoate1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutoxy)-, 2-[[1,2,6,7,8,8a-hexahydro-2,6-dimethyl-8-(2-methyl-1-oxobutoxy)-1-naphthalenyl]ethyl]tetrahydro-6-oxo-2H-pyran-4-yl ester, [1S-[1α[2S*,4S*[βS*,δS*[1R*,2R*,6S*,8R*(R*)]]],2α,6β,8β(R*)]]- (9CI)
물성
구조 계산 물성
- XLogP
- 8.6
- 극성 표면적
- 146 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 58
- 형식 전하
- 0
- 복잡도
- 1,560
물리화학적 성질
- 녹는점
- 54 · 54-75°C
- 끓는 점
- 873.6 · 873.6±65.0 °C(Predicted)
- 밀도
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer, Under inert atmosphere
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 14.01 · 14.01±0.20(Predicted)
- 색상
- 흰색에서 황백색까지
- 주요 응용
- 제약
- InChIKey
- GZGUDHDMNATZDU-CRMSOXFQSA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- Hazard Classifications
- Aquatic Chronic 4Carc. 2Repr. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Lovastatin Dimer (Lovastatin EP Impurity D) is an impurity in Lovastatin (L472225) bulk drug.
관련 반응
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