chempirical

Gemcitabine

C9H11F2N3O4CAS 95058-81-4263.20 g/mol

Open in Covalent MOL file
HNNOOHOHFFOHN
AlcoholAlkyl halideEtherPhenol

Properties

Molecular formula
C9H11F2N3O4
Molar mass
263.20 g/mol
Exact mass
263.0718 Da
Melting point
72.6 °C
logP
-1.05Crippen estimate
Polar surface area
111.6 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2
Stereocentres
R, R, Rin SMILES atom order

Identifiers

CAS number
95058-81-4
SMILES
N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(O)n1
InChIKey
SDUQYLNIPVEERB-QPPQHZFASA-N
InChI
InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • Cytidine, 2′-deoxy-2′,2′-difluoro-
  • 2′-Deoxy-2′,2′-difluorocytidine
  • LY 188011
  • DDFC
  • 2′,2′-Difluoro-2′-deoxycytidine
  • 2′,2′-Difluorodeoxycytidine
  • DFdC
  • NSC 613327
  • DFdCyd
  • Gamcitabine
  • Folfugem
  • Gemcel
  • GemLip
  • Zefei

Work with Gemcitabine

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

Gemcitabine hydrochloride122111-03-994 % similar 2′-Deoxy-2′-fluoro-2′-C-methylcytidine817204-33-475 % similar Deoxycytidine951-77-959 % similar Cytarabine147-94-457 % similar Cytidine65-46-357 % similar 2′-Deoxy-2′-fluorocytidine10212-20-156 % similar 2′-Deoxycytidine hydrochloride3992-42-556 % similar Dideoxycytidine7481-89-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook