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기본 정보
- CAS
160651-94-5- 표준 SMILES
CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)OCC(Cl)(Cl)Cl)[C@@]1(C)C(=O)[C@H](OC(=O)OCC(Cl)(Cl)Cl)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](c4ccccc4)N4C(=O)OC(C)(C)C4=O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C- InChIKey
VRSGCJUFENMYHX-JMVOMOTHSA-N- 분자식
- C49H51Cl6NO19
- 평균 분자량
- 1,170.653 g/mol
- 단동위원소 질량
- 1,167.11864449
이름 및 식별자
- 우선 이름
- (5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-13-{[(2R,3S)-3-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-hydroxy-3-phenylpropanoyl]oxy}-1-hydroxy-9-oxo-7,10-bis{[(2,2,2-trichloroethoxy)carbonyl]oxy}-5,20-epoxytax-11-en-2-yl benzoate
- IUPAC
- 4-(Acetyloxy)-13alpha-{[(2R,3S)-3-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-hydroxy-3-phenylpropanoyl]oxy}-1-hydroxy-9-oxo-7beta,10beta-bis{[(2,2,2-trichloroethoxy)carbonyl]oxy}-4alpha,5beta-5,20-epoxytax-11-en-2alpha-yl benzoate
- 영어명
- 3’-De-tert-butoxycarbonylamino-3’-[3-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidinyl)]-7,10-O-bis{[(2,2,2-trichloroethyl)oxy]carbonyl}-docetaxel
- 분자식
- C49H51Cl6NO19
- 분자량
- 1170.64
이름 및 동의어
[2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-3’-De-tert-butoxycarbonylamino-3’-[3-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidinyl)]-7,10-O-bis{[(2,2,2-trichloroethyl)oxy]carbonyl}-docetaxel3’-De-tert-butoxycarbonylamino-3’-[3-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidinyl)]\n-7,10-O-bis{[(2,2,2-trichloroethyl)oxy]carbonyl} Docetaxel3-Oxazolidinepropanoic acid, α-hydroxy-5,5-dimethyl-2,4-dioxo-β-phenyl-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4,6-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[...
데이터베이스 식별자
- CAS
160651-94-5- PubChem CID
- 15765792
- DTXSID
DTXSID50578108
물성
물리화학적 성질
- 끓는 점
- 1057.746 · 1057.746±75.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.566 · 1.566±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 용해도
- 디클로로메탄, 에틸아세테이트, 메탄올에 용해됨
- 산도 계수 (pKa)
- 11.939 · 11.939±0.20(predicted)
화학 및 산업
응용 분야
용도An intermediate for the synthesis of major human metabolites of Docetaxel
공급사6 곳
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