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三水多烯紫杉醇 | 148408-66-6

三水多烯紫杉醇
Docetaxel trihydrate
148408-66-6
C43H59NO17
861.9251
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:三水多烯紫杉醇结构式
148123
三水多烯紫杉醇价格
简介
Docetaxel Trihydrate (RP-56976 Trihydrate) 是一种抗肿瘤试剂,抑制微管解聚 (microtubule depolymerization) 的 IC50 值为 0.2 μM。Docetaxel Trihydrate 是紫杉醇的半合成类似物,能减弱 bcl-2 和 bcl-xL 基因表达的影响。Docetaxel Trihydrate 阻滞G2/M细胞周期,导致细胞凋亡 (apoptosis)。
名称和标识符
MDL MFCD26960948
InChIKey XCDIRYDKECHIPE-QHEQPUDQSA-N
Inchi 1S/C43H53NO14.3H2O/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45;;;/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52);3*1H2/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+;;;/m0.../s1
SMILES O1C([H])([H])[C@@]2([C@@]1([H])C([H])([H])[C@@]([H])([C@@]1(C([H])([H])[H])C([C@@]([H])(C3=C(C([H])([H])[H])[C@]([H])(C([H])([H])[C@](C3(C([H])([H])[H])C([H])([H])[H])([C@]([H])([C@]21[H])OC(C1C([H])=C([H])C([H])=C([H])C=1[H])=O)O[H])OC([C@@]([H])([C@]([H])(C1C([H])=C([H])C([H])=C([H])C=1[H])N([H])C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])O[H])=O)O[H])=O)O[H])OC(C([H])([H])[H])=O.O([H])[H].O([H])[H].O([H])[H]
别名信息
- 中文别名 -
  • 三水多烯紫杉醇
  • 多西他赛三水合物
  • 多西他赛
  • 多西他赛(三水)
  • 多西他赛Docetaxel
  • 多西紫杉醇
  • 多烯紫杉醇
  • 多烯紫杉醇(三水)
  • 多烯紫杉醇三水合物
  • 多烯紫杉醇三水合物标准品
  • 多烯紫杉醇系统适应性 EP标准品
  • 三水多西他赛
  • 三水多西紫杉醇 EP标准品
  • 三水多烯紫杉醇 USP标准品
  • 三水盐酸伊立替康
  • 三水多西
  • 多西他赛三水物
  • 多西他赛三水化合物
  • 多似紫杉醇(三水)
  • 多烯紫杉醇(三水合物)
  • 多烯紫杉醇三水(标准品)
  • 多西他赛 , 多烯紫杉醇(三水合物)
- 英文别名 -
  • docetaxel trihydrate
  • Docetaxel·Trihydrate
  • Docetaxel
  • Docetaxel (Trihydrate)
  • DOCETAXEL HYDRATE
  • Unii-15H5577cqd
  • Xrp6976
  • Benzenepropanoicacid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxy-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-ylester, trihydrate, (aR,bS)- (9CI)
  • Benzenepropanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxy-,12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-ylester trihydrate, [2aR-[2aa,4b,4ab,6b,9a(aR*,bS*),11a,12a,12aa,12ba]]-
  • 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete,benzenepropanoic acid deriv.
  • Docetaxel (200 mg)
  • Taxotere Trihydrate
  • Docetaxel(trihydrous)
  • RP56976 (NSC 628503) Trihydrate
  • (2AR,4S,4aS,6R,9S,11S,12S,12aS,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-
  • 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.
  • [(1S,2S,3R,7R,9S,10S,12R,15S)-4-Acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan
  • [(1S,2S,3R,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
  • 15H5577CQD
  • Taxotere (TN)
  • Docetaxel Trihydrate
  • 148408-66-6
  • DOCETAXEL [EMA EPAR]
  • 4-(acetyloxy)-13alpha-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7beta,10beta-trihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate--water (1/3)
  • BIND 014
  • Docetaxel trihydrate- Bio-X
  • Docetaxel (USP)
  • CHEMBL3545252
  • DOCETAXEL [USP-RS]
  • DOCETAXEL [WHO-DD]
  • DOCETAXEL [VANDF]
  • RP-56976 (Trihydrate)
  • N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol trihydrate
  • DOCETAXEL [USP IMPURITY]
  • N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetylpaclitaxel trihydrate
  • CKD-810
  • Docetaxel [USAN:USP:INN:BAN]
  • BD164375
  • CHEBI:59809
  • Docetaxel (as trihydrate)
  • AKOS026749818
  • DOCETAXEL [USAN]
  • DOCETAXEL TRIHYDRATE [EP MONOGRAPH]
  • Benzenepropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,1313-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, trihydrate, (alphaR,betaS)-
  • DOCETAXEL [ORANGE BOOK]
  • XRP6976
  • Docetaxel trihydrate
  • DTXSID80872444
  • XCDIRYDKECHIPE-QHEQPUDQSA-N
  • [(1S,2S,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
  • Q27126905
  • DOCETAXELTRIHYDRATE
  • RP 56976
  • UNII-15H5577CQD
  • HY-B0011A
  • DOCETAXEL [EP MONOGRAPH]
  • CS-1597
  • D02165
  • NSC 759850
  • DOCETAXEL TRIHYDRATE [MI]
  • 148408-66-6 (hydrate)
  • DOCETAXEL [USP MONOGRAPH]
  • (2R,3S)-N-Carboxy-3-phenylisoserine, N-tert-butyl ester, 13-ester with 5beta,20-epoxy-1,2alpha,4,7beta,10beta,13alpha-hexahydroxytax-11-en-9-one 4-acetate 2-benzoate, trihydrate
  • DOCETAXEL HYDRATE [JAN]
  • [(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
  • (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate trihydrate
  • Docetaxel hydrate
  • Docetaxel hydrate (JP17)
  • RP-56976 Trihydrate
物化性质
实验特性
LogP 3.45760
PSA 252.14000
沸点 1016.9°C at 760 mmHg
熔点 186-192 ºC
蒸气压 No data available
闪点 568.8 °C
颜色与性状 白色结晶粉末
密度 1.37
计算特性
精确分子量 861.37800
氢键供体数量 8
氢键受体数量 17
可旋转化学键数量 13
同位素质量 861.378
重原子数量 61
复杂度 1660
同位素原子数量 0
确定原子立构中心数量 11
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 4
拓扑分子极性表面积 227
专业数据库参考
PubChemId 148123
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