无水多西紫杉醇（CAS 114977-28-5）：分子式 C43H53NO14、分子量 807.9。
| CAS号 | 114977-28-5 |
|---|---|
| 分子式 | C43H53NO14 |
| 分子量 | 807.9 |
| 熔点 | 232 |
| LogP | 2.4 |
| 应用领域 | Uses: MEDICATION、Antineoplastic Agents、Tubulin Modulators、Use (kg、approx.) in Germany (2009): >10、Use (kg) in USA (2002): 12、Consumption (g per capita、approx.) in Germany (2009): 0.000122、Consumption (g per capita) in the USA (2002): 4.32e-05、Calculated removal (%): 4.5、For the treatment of patients with locally advanced or metastatic breast cancer after failure of prior chemotherapy. Also used as a single agent in the treatment of patients with locally advanced or metastatic non-small cell lung cancer after failure of prior platinum-based chemotherapy. It is also used in combination with prednisone、in the treatment of patients with androgen independent (hormone refractory) metastatic prostate cancer. Furthermore、docetaxel has uses in the treatment of gastric adenocarinoma and head and neck cancer.、Methods of Manufacturing: Semisynthetic derivative of paclitaxel、q.v.、prepared using a natural precursor、10-deacetylbaccatin III、extracted from the needles of the European yew tree、Taxus baccata L.、Taxaceae.、Docetaxel is ... prepared by a semisynthetic process that starts from 10-deacetylbaccatin III. After protection of the 7- and 10-hydroxy groups by 2、2、2-trichloroethoxycarbonyl (Troc) groups、the 13-hydroxy group is esterified with threo-2-(1-ethoxyethoxy)-3-(tert-butoxycarbonylamino)-3-phenylpropionic acid. The latter is obtained from tert-butyl cis-3-phenylglycidate (made by Darzens condensation of benzaldehyde with tert-butyl chloroacetate) by reaction with sodium azide、ester hydrolysis、and finally catalytic hydrogenation.、Preparation: M. Colins et al.、European Patent Office patent 253738、eidem、United States of America patent 4814470 (1988、1989 both to Rhone-Poulenc Sante)、Formulations、Preparations: Table: Docetaxel Preparations [Table#6526] |
登记用途：Uses: MEDICATION、Antineoplastic Agents、Tubulin Modulators、Use (kg、approx.) in Germany (2009): >10、Use (kg) in USA (2002): 12、Consumption (g per capita、approx.) in Germany (2009): 0.000122、Consumption (g per capita) in the USA (2002): 4.32e-05、Calculated removal (%): 4.5、For the treatment of patients with locally advanced or metastatic breast cancer after failure of prior chemotherapy. Also used as a single agent in the treatment of patients with locally advanced or metastatic non-small cell lung cancer after failure of prior platinum-based chemotherapy. It is also used in combination with prednisone、in the treatment of patients with androgen independent (hormone refractory) metastatic prostate cancer. Furthermore、docetaxel has uses in the treatment of gastric adenocarinoma and head and neck cancer.、Methods of Manufacturing: Semisynthetic derivative of paclitaxel、q.v.、prepared using a natural precursor、10-deacetylbaccatin III、extracted from the needles of the European yew tree、Taxus baccata L.、Taxaceae.、Docetaxel is ... prepared by a semisynthetic process that starts from 10-deacetylbaccatin III. After protection of the 7- and 10-hydroxy groups by 2、2、2-trichloroethoxycarbonyl (Troc) groups、the 13-hydroxy group is esterified with threo-2-(1-ethoxyethoxy)-3-(tert-butoxycarbonylamino)-3-phenylpropionic acid. The latter is obtained from tert-butyl cis-3-phenylglycidate (made by Darzens condensation of benzaldehyde with tert-butyl chloroacetate) by reaction with sodium azide、ester hydrolysis、and finally catalytic hydrogenation.、Preparation: M. Colins et al.、European Patent Office patent 253738、eidem、United States of America patent 4814470 (1988、1989 both to Rhone-Poulenc Sante)、Formulations、Preparations: Table: Docetaxel Preparations [Table#6526]。
无水多西紫杉醇 是一种化工化合物，登记 CAS 号为 114977-28-5，分子式 C43H53NO14（分子量 807.9）。
登记 CAS 号：114977-28-5
其分子式 C43H53NO14 由 43 个碳、53 个氢、1 个氮、14 个氧 组成。
别名/同义词：无水多西紫杉醇 · DOCETAXEL · Docetaxel Anhydrous
无水多西紫杉醇 的 CAS 登记号为 114977-28-5。
分子式 C43H53NO14，分子量 807.9。
别名/同义词：无水多西紫杉醇、DOCETAXEL、Docetaxel Anhydrous。
登记用途：Uses: MEDICATION、Antineoplastic Agents、Tubulin Modulators、Use (kg、approx.) in Germany (2009): >10、Use (kg) in USA (2002): 12、Consumption (g per capita、approx.) in Germany (2009): 0.000122、Consumption (g per capita) in the USA (2002): 4.32e-05、Calculated removal (%): 4.5、For the treatment of patients with locally advanced or metastatic breast cancer after failure of prior chemotherapy. Also used as a single agent in the treatment of patients with locally advanced or metastatic non-small cell lung cancer after failure of prior platinum-based chemotherapy. It is also used in combination with prednisone、in the treatment of patients with androgen independent (hormone refractory) metastatic prostate cancer. Furthermore、docetaxel has uses in the treatment of gastric adenocarinoma and head and neck cancer.、Methods of Manufacturing: Semisynthetic derivative of paclitaxel、q.v.、prepared using a natural precursor、10-deacetylbaccatin III、extracted from the needles of the European yew tree、Taxus baccata L.、Taxaceae.、Docetaxel is ... prepared by a semisynthetic process that starts from 10-deacetylbaccatin III. After protection of the 7- and 10-hydroxy groups by 2、2、2-trichloroethoxycarbonyl (Troc) groups、the 13-hydroxy group is esterified with threo-2-(1-ethoxyethoxy)-3-(tert-butoxycarbonylamino)-3-phenylpropionic acid. The latter is obtained from tert-butyl cis-3-phenylglycidate (made by Darzens condensation of benzaldehyde with tert-butyl chloroacetate) by reaction with sodium azide、ester hydrolysis、and finally catalytic hydrogenation.、Preparation: M. Colins et al.、European Patent Office patent 253738、eidem、United States of America patent 4814470 (1988、1989 both to Rhone-Poulenc Sante)、Formulations、Preparations: Table: Docetaxel Preparations [Table#6526]。
无水多西紫杉醇（CAS 114977-28-5）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 114977-28-5 |
|---|---|
| PubChem CID | 148124 |
| Molecular formula | C43H53NO14 |
| IUPAC name | [(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 |
| UNII (FDA) | 699121PHCA |
| Molecular Weight | 807.9 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 13 |
| Exact Mass | 807.34660536 |
| Monoisotopic Mass | 807.34660536 |
| Topological Polar Surface Area | 224 |
| Heavy Atom Count | 58 |
| Melting Point | 232 |
|---|---|
| Melting Point | 232 °C |
| Solubility | 1.27e-02 g/L |
| LogP | 2.4 |
| LogP | 3.4 |
docetaxel; 114977-28-5; Taxotere; Docetaxel anhydrous; Docetaxel Kabi; Docetaxel Winthrop; Docefrez; DOCETAXEL MYLAN; RP-56976; NSC-628503; DTXSID0040464; Docetaxel Teva; Docetaxel Accord; DOCETAXEL TEVA PHARMA; BEIZRAY; BIND 014
| Reported hazard statements | H315 (14.3%), H319 (64.3%), H341 (85.7%), H351 (21.4%), H360 (35.7%), H361 (42.9%), H362 (35.7%), H372 (57.1%) |
|---|
H315 (14.3%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (64.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Docetaxel Anhydrous · CAS 114977-28-5 · C43H53NO14. UNII 699121PHCA. Melting Point: 232; Melting Point: 232 °C; Solubility: 1.27e-02 g/L.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: DOCETAXEL