Docetaxel

About This Item

Molecular Formula	C₄₃H₅₃NO₁₄
CAS Number	114977-28-5

FC-0180421

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Properties

Chemical Identifiers

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
SMILES	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
InChI Key	ZDZOTLJHXYCWBA-VCVYQWHSSA-N

Physical Properties

Boiling Point	900.5±65.0 °C at 760 mmHg
Melting Point	232 °C
Flash Point	498.4±34.3 °C
Density	1.4±0.1 g/cm3

Safety Information

Hazard Class

Danger

Flash Point

498.4±34.3 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.