C43H59NO17
861.9 g/mol
원료의약품위험
Docetaxel trihydrate
CAS148408-66-6
용도 분류
원료의약품
화합물 분류
천연물
주요 용도
의약 원료
Docetaxel trihydrate is a pharmaceutical raw material used as an active pharmaceutical ingredient. It is a hydrated, salt-like form of the complex diterpenoid compound docetaxel, characterized by multiple hydroxyl, ester, and ether functional groups.
콘텐츠 범위: 이 페이지의 정보는 화학물질 식별 및 산업 공급·연구개발·제조 맥락을 대상으로 합니다. 치료 효능 주장, 의료 조언 또는 의약품 사용 지침에 해당하지 않습니다.
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((1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1-hydroxy-15-((2R,3S)-2-hydroxy-3-((2-methylpropan-2-yl)oxycarbonylamino)-3-phenylpropanoyl)oxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo(11.3.1.03,10.04,7)heptadec-13-en-2-yl) benzoate;propan-2-one
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안전 참조
위험
H319Causes serious eye irritation
H341Suspected of causing genetic defects
H360May damage fertility or the unborn child
H362May cause harm to breast-fed children
H372Causes damage to organs through prolonged or repeated exposure
H400Very toxic to aquatic life
H411Toxic to aquatic life with long lasting effects
식별자
IUPAC 이름
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;trihydrate
InChIKey
XCDIRYDKECHIPE-QHEQPUDQSA-N
SMILES
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O.O.O.O
동의어 목록 (21)
- Docetaxel (USP)
- 148408-66-6 (hydrate)
- Docetaxel hydrate
- Docetaxel hydrate (JP18)
- Docetaxel trihydrate
- Docetaxel trihydrate CRS
- Taxotere (TN)