C29H36O10
544.6 g/mol
의약 중간체위험
10-Deacetylbaccatin III
CAS32981-86-5
용도 분류
의약 중간체
화합물 분류
천연물
주요 용도
의약 중간체
10-Deacetylbaccatin III is a natural organic compound isolated from the yew tree. It serves as a key precursor in the manufacturing of the pharmaceutical intermediate used to produce the anti-cancer drug docetaxel (Taxotere).
Precursor in anti-cancer drug docetaxel manufacturing
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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CAS 32981-86-5
관련 화합물
강한 관련구조 유사유사도 0.86
Baccatin III
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precursor of paclitaxel
유사구조 유사유사도 0.74
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Semisynthetic taxane precursor
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참고동일 카테고리
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참고동일 카테고리
2-Chloro-4-(trifluoromethyl)pyrimidine
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Pharmaceutical intermediate
안전 참조
위험
H301Toxic if swallowed
H311Toxic in contact with skin
H315Causes skin irritation
H319Causes serious eye irritation
H331Toxic if inhaled
H335May cause respiratory irritation
H340May cause genetic defects
H350May cause cancer
H373May cause damage to organs through prolonged or repeated exposure
H412Harmful to aquatic life with long lasting effects
식별자
IUPAC 이름
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
InChIKey
YWLXLRUDGLRYDR-ZHPRIASZSA-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]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O
동의어 목록 (26)
- 10-DAB
- Docetaxel EP Impurity E
- 10-DAB (10-Deacetylbaccatin)
- 10-DB III
- 10-Deacetyl Baccatin lll
- 10-Deacetylbaccatin
- 10-Deacetylbaccatin III
- 10-Deacetylbaccatine III
- 10-O-Deacetylbaccatin III
- 10-deactyl baccatin III
- 10.BETA.-DEACETYLBACCATIN III
- Baccatin III, 10-Deacetyl-
- Docetaxel impurity E CRS
- zoate