Docetaxel-D9
[CAS# 940867-25-4]

Identification

• Name: Docetaxel-D9
• Synonyms: 4-Acetoxy-1,7,10-trihydroxy-13-({2-hydroxy-3-[({[2-(2H3)methyl(2H6)-2-propanyl]oxy}carbonyl)amino]-3-phenylpropanoyl}oxy)-9-oxo-5,20-epoxytax-11-en-2-yl benzoate; 4-Acetoxy-1,7,10-trihydroxy-13-({2-hydroxy-3-[({[2-(2H3)methyl(2H6)-2-propanyl]oxy}carbonyl)amino]-3-phenylpropanoyl}oxy)-9-oxo-5,20-epoxytax-11-en-2-yl-benzoat; β-[[[[1,1-di(methyl-d3)ethyl-2,2,2-d3]oxy]carbonyl]amino]-α-hydroxy-Benzenepropanoic acid 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4 a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester
• Molecular Formula: C₄₃H₄₄D₉NO₁₄
• Molecular Weight: 816.93
• CAS Registry Number: 940867-25-4
• SMILES: [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])OC(=O)NC(c1ccccc1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C2C)C3(C)C)O)C)OC(=O)c6ccccc6)O)O

Properties

• Density: 1.4±0.1 g/cm³, Calc.
• Boiling point: 900.5±65.0 °C (760 mmHg), Calc.
• Flash point: 498.4±34.3 °C, Calc.
• Refractive index: 1.618

Safety Data

• Hazard Symbols: GHS08;GHS07 Danger
• Risk Statements: H319-H341-H372
• Safety Statements: P201-P202-P260-P264-P280