Docetaxel Anhydrous (CAS 114977-28-5) — formula C43H53NO14, molecular weight 807.9; category organic chemicals.
Documented applications: 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].
Docetaxel Anhydrous is a carbon-based organic compound with CAS registry number 114977-28-5 and molecular formula C43H53NO14 (molecular weight 807.9), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 114977-28-5
Its molecular formula C43H53NO14 comprises 43 C, 53 H, 1 N, 14 O atoms.
Also known as: Docetaxel Anhydrous · DOCETAXEL
Category: organic chemicals
The CAS registry number of Docetaxel Anhydrous is 114977-28-5.
Molecular formula C43H53NO14, molecular weight 807.9.
It is also registered under: Docetaxel Anhydrous, DOCETAXEL.
Recorded applications: 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].
Category: Organic Chemicals.
Public-database records for Docetaxel Anhydrous (CAS 114977-28-5), reproduced here for independent cross-checking.
| 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]
| 熔点 | 232 |
|---|---|
| 熔点 | 232 °C |
| 溶解度 | 1.27e-02 g/L |
| LogP | 2.4 |
| LogP | 3.4 |
| CAS Registry Number | 114977-28-5 |
|---|---|
| PubChem CID | 148124 |
| 分子式 | C43H53NO14 |
| IUPAC 名称 | [(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 |
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
| 分子量 | 807.9 |
|---|---|
| XLogP3 | 1.6 |
| 氢键供体数 | 5 |
| 氢键受体数 | 14 |
| 可旋转键数 | 13 |
| 精确质量 | 807.34660536 |
| 单同位素质量 | 807.34660536 |
| 拓扑极性表面积 | 224 |
| 重原子数 | 58 |
| 形式电荷 | 0 |
Docetaxel Anhydrous · CAS 114977-28-5 · C43H53NO14. UNII 699121PHCA. 熔点: 232; 熔点: 232 °C; 溶解度: 1.27e-02 g/L.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.