Doxifluridine Structure

Doxifluridine

Chemical Properties

Melting point 188-192 °C(lit.)
alpha  D25 +18.4° (c = 0.419 in water)
Density  1.3751 (estimate)
refractive index  20 ° (C=1, H2O)
storage temp.  Inert atmosphere,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 7.4(at 25℃)
color  White
Merck  14,3437
Major Application pharmaceutical small molecule
InChI InChI=1S/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1
InChIKey ZWAOHEXOSAUJHY-ZIYNGMLESA-N
SMILES C[C@H]1O[C@@H](N2C=C(F)C(=O)NC2=O)[C@H](O)[C@@H]1O
CAS DataBase Reference 3094-09-5(CAS DataBase Reference)
FDA UNII V1JK16Y2JP
NCI Drug Dictionary doxifluridine
UNSPSC Code 41116107
NACRES NA.77

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H317
Precautionary statements P261-P272-P280-P302+P352+P333+P313+P363-P501
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36-24/25
WGK Germany  2
RTECS  YU7526000
Hazard Note  Irritant
HazardClass  IRRITANT, IRRITANT-HARMFUL
HS Code  29349990
Storage Class 11 - Combustible Solids
Toxicity LD50 (14 day) in mice or rats (mg/kg): >1000 i.v.: >2000 s.c.; in male, female mice, male, female rats (mg/kg): >5000, >5000, 3471, 3390 orally (Shimizu)
NFPA 704:
0
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