CAS 125354-16-7|Docetaxal
Introduction：Basic information about CAS 125354-16-7|Docetaxal, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Docetaxal | ||
|---|---|---|---|
| CAS Number | 125354-16-7 | Molecular Weight | 849.916 |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 901.4±65.0 °C at 760 mmHg |
| Molecular Formula | C45H55NO15 | Melting Point | / |
| MSDS | Chinese | Flash Point | 499.0±34.3 °C |
Names
| Name | Docetaxel |
|---|---|
| Synonym | More Synonyms |
Docetaxal BiologicalActivity
| Description | Docetaxal (10-Acetyl docetaxel; PNU-101383), an analog of Docetaxel (HY-B0011), is a microtubule disassembly inhibitor, with antimitotic activity. Docetaxal has cytotoxicity for murine leukemic cells[1]. |
|---|---|
| Related Catalog | Research Areas >>CancerSignaling Pathways >>Cell Cycle/DNA Damage >>Microtubule/TubulinSignaling Pathways >>Cytoskeleton >>Microtubule/Tubulin |
| In Vitro | Docetaxal has cytotoxicity for murine P388 leukemic cells, with an IC50 of 8.24 μM [1]. |
| References | [1]. Gueritte-Voegelein, et al. Relationships between the structure of taxol analogs and their antimitotic activity. Journal of Medicinal Chemistry, 1991. 34(3), 992–998. |
Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 901.4±65.0 °C at 760 mmHg |
| Molecular Formula | C45H55NO15 |
| Molecular Weight | 849.916 |
| Flash Point | 499.0±34.3 °C |
| Exact Mass | 849.357178 |
| PSA | 230.52000 |
| LogP | 7.19 |
| Vapour Pressure | 0.0±0.3 mmHg at 25°C |
| Index of Refraction | 1.606 |
| InChIKey | LEMYAXKYCOBYOJ-OAGWZNDDSA-N |
| SMILES | CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C |
Safety Information
| HS Code | 2932999099 |
|---|
Customs
| HS Code | 2932999099 |
|---|---|
| Summary | 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
Synonyms
| (2α,5β,7β,10β,13α)-4,10-Diacetoxy-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate |
| (2α,5β,7β,10β,13α)-4,10-bis(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate |
| N-DEBENZOYL-N-(TERT-BUTOXYCARBONYL)TAXOL |
| 10-Acetyldocetaxel |
| 10-Acetyltaxotere |
| Docetaxal |
| Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro -4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)- |
| benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)- |
| DOCETAXOL |
| (2α,5β,7β,10β,13α)-4,10-Diacetoxy-1,7-dihydroxy-13-{[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-9-oxo-5,20-epoxytax-11-en-2-yl benzoate |
| DOCETAXEL TRIHYDRATE |
| DOCETAXEL, TRIHYDRATE |
| DOCETAXEL,TRIHYDRATE |
