Doxifluridine

C₉H₁₁FN₂O₅CAS 3094-09-5246.19 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ether Phenol

Properties

Molecular formula: C₉H₁₁FN₂O₅
Molar mass: 246.19 g/mol
Exact mass: 246.0652 Da
Melting point: 190 °C
logP: -1.27Crippen estimate
Polar surface area: 104.8 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 1
Stereocentres: R, R, R, Sin SMILES atom order

Hazards

Danger

H226 Flammable liquid and vapor16.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H317 May cause an allergic skin reaction33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation16.7% of notifiers
H340 May cause genetic defects16.7% of notifiers
H350 May cause cancer16.7% of notifiers
H351 Suspected of causing cancer16.7% of notifiers
H360 May damage fertility or the unborn child33.3% of notifiers
H411 Toxic to aquatic life with long lasting effects16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P318, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

3094-09-5

SMILES

C[C@H]1O[C@@H](n2cc(F)c(O)nc2=O)[C@H](O)[C@@H]1O

InChIKey

ZWAOHEXOSAUJHY-ZIYNGMLESA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

Uridine, 5′-deoxy-5-fluoro-
5′-Deoxy-5-fluorouridine
Ro 21-9738
5-Fluoro-5′-deoxyuridine
5-Fluorodesoxyuridine
5′-DFUR
Furtulon
5′-dFUrd
Flutron
Fulturon

Work with Doxifluridine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Fluorouridine316-46-168 % similar 5′-Deoxy-5-fluorocytidine66335-38-459 % similar Capecitabine154361-50-956 % similar 5'-Deoxy-5-fluoro-N4-(2-methyl-1-butyloxycarbonyl)cytidine910129-15-655 % similar 5-Methyluridine1463-10-150 % similar 1-Beta-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione605-23-250 % similar 5-Hydroxyuridine957-77-749 % similar Tegafur17902-23-749 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Floxuridine50-91-9 1-(2-Deoxy-2-fluoro-β-D-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione69123-94-0 2'-Fluoro-2'-deoxyuridine784-71-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook