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3094-09-5

Basic Information
CAS No.: 3094-09-5
Name: Doxifluridine
Article Data: 17
Molecular Structure:
Molecular Structure of 3094-09-5 (Doxifluridine)
Formula: C9H11FN2O5
Molecular Weight: 246.195
Synonyms: 5-Fluoro-5'-deoxyuridine;5-Fluorodesoxyuridine;5'-DFUR;5'-Deoxy-5-fluorouridine;5'-dFUrd;Flutron;Furtulon;Ro 21-9738;Uridine,5'-deoxy-5-fluoro-;Doxyflruidine;
EINECS: 221-440-1
Density: 1.63 g/cm3
Melting Point: 188-192 °C(lit.)
Appearance: White solid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 104.55000
LogP: -1.68520
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Chemistry


IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione 
Empirical Formula: C9H11FN2O5
Molecular Weight: 246.1924
EINECS: 221-440-1
Product Categories: Heterocycles; Pyridines, Pyrimidines, Purines and Pteredines; Pyrazines, Pyrimidines & Pyridazines; API intermediates; Biochemistry; Chemical Reagents for Pharmacology Research; Nucleosides and their analogs; Nucleosides, Nucleotides & Related Reagents; Bases & Related Reagents; Nucleotides; Intermediates & Fine Chemicals; Pharmaceuticals; Pyrazines, Pyrimidines & Pyridazines 
Index of Refraction: 1.605
Molar Refractivity: 51.91 cm3
Molar Volume: 150.6 cm3
Surface Tension: 69.8 dyne/cm
Density: 1.63 g/cm3 
Appearance: White Solid
Melting Point: 188-192 °C(lit.)
Classification Code of Doxifluridine (CAS NO.3094-09-5): Antimetabolites; Antimetabolites, Antineoplastic; Antineoplastic agents; Appetite stimulants; Central Nervous System Agents; Central Nervous System Stimulants; Drug / Therapeutic Agent; Immunologic Factors; Immunosuppressive agents; Mutation data; Noxae; Reproductive Effect

Uses

 Doxifluridine (CAS NO.3094-09-5) is a prodrug of 5-Flurouridine and a fluorinated pyrimidine nucleoside with cytostatic activity. It is used as an antitumor agent efficient in tumors, cell lines or in fibroblasts tranformed by H-ras or trk oncogenes. A metabolite of Capecitabine .

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 1gm/kg (1000mg/kg)   Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 13(Suppl,
mouse LD50 subcutaneous > 2gm/kg (2000mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 13(Suppl,
mouse LDLo oral 5gm/kg (5000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 13(Suppl,
rat LD50 intravenous > 1gm/kg (1000mg/kg)   Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 13(Suppl,
rat LD50 oral 3390mg/kg (3390mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 13(Suppl,
rat LD50 subcutaneous > 2gm/kg (2000mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 13(Suppl,

Safety Profile

Hazard Codes:IrritantXi  
WGK Germany :2 
RTECS:YU7526000 
Hazard Note:Irritant 
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
HazardClass: IRRITANT, IRRITANT-HARMFUL

Specification

  Doxifluridine (CAS NO.3094-09-5), its Synonyms are 1-(beta-D-5-Desoxyribofuranoxyl)-5-fluoruracil ; 5'-Deoxy-5-fluorouridine ; 5'-Dfur ; 5'-Doxifluridine ; Doxifluridina ; Flutron ; Furtulon ; Doxifluridinum ; Uridine, 5'-deoxy-5-fluoro- ; Uridine-5'-deoxy-5-fluoro- .