chempirical

Clofarabine

C10H11ClFN5O3CAS 123318-82-1303.68 g/mol

Open in Covalent MOL file
H2NNClNNNOOHOHF
AlcoholAlkyl halideAryl halideEtherPrimary amine

Properties

Molecular formula
C10H11ClFN5O3
Molar mass
303.68 g/mol
Exact mass
303.0534 Da
Melting point
225–227 °C
logP
-0.35Crippen estimate
Polar surface area
119.3 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
2
Stereocentres
R, R, R, Sin SMILES atom order

Identifiers

CAS number
123318-82-1
SMILES
Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F
InChIKey
WDDPHFBMKLOVOX-AYQXTPAHSA-N
InChI
InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1

Weigh it out

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

Names and synonyms

7 names
  • 9H-Purin-6-amine, 2-chloro-9-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-
  • 2-Chloro-9-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)adenine
  • 2-Chloro-9-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-9H-purin-6-amine
  • Clofarex
  • Clolar
  • Evoltra
  • Ivozall

Work with Clofarabine

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

2-Chloroadenosine146-77-080 % similar Adenosine, 2-chloro-, hydrate (2:1)81012-94-476 % similar 2-Fluoroadenosine146-78-163 % similar Fludarabine21679-14-163 % similar (2R,3R,4S,5R)-2-(2,6-Dichloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol13276-52-363 % similar Isoguanosine1818-71-961 % similar Cladribine4291-63-860 % similar Vidarabine5536-17-456 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook