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Docetaxel Trihydrate

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Docetaxel Trihydrate / CAS : 148408-66-6

Appearance White crystalline powder UN 0.0
HS 2932999099 DG Class 0.0
Synonyms (αR,βS)-β-[[(1,1-Dimethylethoxy)Carbonyl]Amino]-α-Hydroxy-Benzenepropanoic Acid, (2Ar,4S,4As,6R,9S,11S,12S,12Ar,12Bs)-12B-(Acetyloxy)-12-; Docetaxel; Taxotere Trihydrate; (Benzoyloxy)-2A,3,4,4A,5,6,9,10,11,12,12A,12B-Dodecahydro-4,6,11-Trihydroxy-4A,8,13,13-Tetramethyl-5-Oxo-7,11-Methano-1H-Cyclodeca[3,4]Benz[1,2-B]Oxet-9-Yl Ester,Hydrate (1
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Properties

Summary

Formula
C43H53NO14.3H2O
Molecular Mass
861.929
Exact Mass
861.37800
PSA
252.14000
Logp
3.45760
IUPAC
[(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;trihydrate
SMILES
CC1=C2[CH](C(=O)[C]3([CH](C[CH]4[C]([CH]3[CH]([C](C2(C)C)(C[CH]1OC(=O)[CH]([CH](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.O.O.O

Attribute classification

Matter Classification
organic
Category
Plant and Other Extracts > Plant Extracts

Chemical and Physical Properties

Melting Point
186-192°C
Density
1.37 g/cm3
Boiling Point
1016.9ºC at 760 mmHg
Flash Point
568.8ºC
Appearance
White crystalline powder

Export information

HS Code
2932999099
Export Rebate
10/13%
UN No.
0.0
DG-Class
0.0

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