114977-28-5
Product Name:
Docetaxel
Formula:
C43H53NO14
Synonyms:
Docetaxel;Docetaxel trihydrate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 232 °C |
| Solubility | Insoluble |
| LogP | 2.4 |
| Optical Rotation | Specific optical rotation: - 36 deg (c = 0.74 in ethanol) |
| Other Experimental Properties | White to almost white powder. Highly lipophilic. Practically insoluble in water /Docetaxel trihydrate/ |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H341:Germ cell mutagenicity H362:Reproductive toxicity, effects on or via lactation H372:Specific target organ toxicity, repeated exposure |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P263:Avoid contact during pregnancy/while nursing. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 807.9 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 13 |
| Exact Mass | 807.34660536 g/mol |
| Monoisotopic Mass | 807.34660536 g/mol |
| Topological Polar Surface Area | 224 Ų |
| Heavy Atom Count | 58 |
| Formal Charge | 0 |
| Complexity | 1660 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 11 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
Description
Docetaxel anhydrous, a tetracyclic diterpenoid, shares structural similarities with paclitaxel, wherein the N-benzyloxycarbonyl group is substituted with N-tert-butoxycarbonyl, and the acetoxy group at position 10 is replaced by a hydroxy group. With its distinctive molecular composition, it serves multiple roles including that of an antineoplastic agent, a photosensitizing agent, and an antimalarial. As a secondary alpha-hydroxy ketone, it is categorized as a tetracyclic diterpenoid and is derived from a hydride of a taxane.