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Capecitabine

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Capecitabine / CAS : 154361-50-9

Appearance Colorless solid UN 0.0
HS 29349990 DG Class 0.0
Synonyms Pentyl [1-(3,4-Dihydroxy-5-Methyl-Oxolan-2-Yl)-5-Fluoro-2-Oxo-Pyrimidin-4-Yl]Aminoformate; Xeloda; Capecytabine; Ro 09-1978; Captabin; 5'-Deoxy-5-Fluoro-N-[(Pentyloxy)Carbonyl]Cytidine; Ro-9-1978; 5'-Deoxy-5-Fluoro-N4-[(Pentyloxy)Carbonyl]Cytidine; Cpecitabine; Capecitibine; Ro 09-1978/000; Capcitabine; 5'-Deoxy-5-Fluorocytisine; Pentyl (1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-Methyltetrahydrofuran-2-Yl)-5-Fluoro-2-Oxo-1,2-Dihydr
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Properties

Summary

Formula
C15H22FN3O6
Molecular Mass
359.35000
Exact Mass
359.14900
PSA
122.91000
Logp
0.83320
IUPAC
pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
SMILES
CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Antineoplastic Agents

Chemical and Physical Properties

Melting Point
110-121°C
Density
1.49±0.1 g/cm3(Predicted)
Boiling Point
437.874ºC at 760 mmHg
Flash Point
218.619ºC
Appearance
Colorless solid

Export information

HS Code
29349990
Export Rebate
10%
UN No.
0.0
DG-Class
0.0
Risk Code
45-60-61-68
Safety Label
T

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