ChemicalBook--->CAS DataBase List--->3094-09-5

3094-09-5

3094-09-5 Structure

3094-09-5 Structure
IdentificationMore
[Name]

Doxifluridine
[CAS]

3094-09-5
[Synonyms]

5'-DEOXY-5-FLUOROURIDINE
5'-DEOXYFLUOROURIDINE
5'-DFUR
5'DFURD
(+)-5-FLUORO-5'-DEOXYURIDINE
5-FLUORO-5'-DEOXYURIDINE
DOXIFLURIDINE
RO-21-9738
5’-deoxy-5-fluoro-uridin
flutron
furtulon
Doxifluridine (furtulon)
DOXIFLUIRDINE
5'-Deoxy-fluorouridine(DFUR)/Doxifluridine
(+)-5-FLUORO-5'-DEOXYURIDINE 97%
5-FLURO-5’-DEOXYURIDINE
5Urd, 5-Fluoro-5deoxyuridine
5Deoxy-5-fluorouridine, 5DFUR, 5dFUrd, Ro-21-9738
Doxifluidine
DOXIFLURIDINE(SUBJECTTOPATENTFREE)
[EINECS(EC#)]

221-440-1
[Molecular Formula]

C9H11FN2O5
[MDL Number]

MFCD00866530
[Molecular Weight]

246.19
[MOL File]

3094-09-5.mol
Chemical PropertiesBack Directory
[Appearance]

White Solid
[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
[Usage]

An antitumor agent efficient in tumors, cell lines or in fibroblasts tranformed by H-ras or trk oncogenes. A metabolite of Capecitabine
[Merck ]

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)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[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)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl acetate-->Iodomethane-->p-Toluenesulfonic acid monohydrate-->Palladium carbon fine chemical catalyzer-->Triphenylantimony-->2,2-Dimethoxypropane
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-Fluoro-5′-deoxyuridine(3094-09-5).msds
Hazard InformationBack Directory
[Description]

Doxifluridine is a prodrug derivative of 5-fluorouracil (5-FU). As an antineoplastic it is more potent than 5-FU in the treatment of breast, stomach, colon and rectal cancers.
[Chemical Properties]

White Solid
[Originator]

Hoffmann-LaRoche (USA)
[Uses]

5’-Deoxy-5-fluorouridine is a metabolite of the chemotherapeutic agent Capecitabine (C175650). 5’-Deoxy-5-fluorouridine is an antitumor agent efficient in tumors, cell lines or in fibroblasts tranformed by H-ras or trk oncogenes.
[Uses]

A prodrug of 5-Flurouridine. A fluorinated pyrimidine nucleoside with cytostatic activity
[Uses]

An antitumor agent efficient in tumors, cell lines or in fibroblasts tranformed by H-ras or trk oncogenes. A metabolite of Capecitabine
[Uses]

antineoplastic, pyrimidine antimetabolite
[Definition]

ChEBI: A pyrimidine 5'-deoxyribonucleoside that is 5-fluorouridine in which the hydroxy group at the 5' position is replaced by a hydrogen. It is an oral prodrug of the antineoplastic agent 5-fluorouracil. Designed to circumvent the rapid degradation of 5-fluoro racil by dihydropyrimidine dehydrogenase in the gut wall, it is converted into 5-fluorouracil in the presence of pyrimidine nucleoside phosphorylase.
[Brand name]

Furtulon
[Biochem/physiol Actions]

Doxifluridine is an antitumor agent efficient in tumors, cell lines or in fibroblasts transformed by H-ras or trk oncogenes. Possesses anticachectic activity which is independent of its antiproliferative activity.
Spectrum DetailBack Directory
[Spectrum Detail]

Doxifluridine(3094-09-5)1HNMR
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

5'-Deoxy-5-fluorouridine,>98.0%(T)(3094-09-5)
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