5542-92-7

Name Cladribine Impurity D
CAS 5542-92-7
Molecular Formula C10H12ClN5O3
Molecular Weight 285.69
MOL File 5542-92-7.mol

Chemical Properties

Melting point  >173°C (dec.)
Boiling point  597.6±60.0 °C(Predicted)
density  2.03±0.1 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  Aqueous Acid (Slightly, Sonicated), DMF (Slightly, Sonicated), DMSO (Slightly),
form  Solid
pka 13.75±0.60(Predicted)
color  White to Off-White
InChI InChI=1/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6-/s3
InChIKey PTOAARAWEBMLNO-BAGWKGPINA-N
SMILES NC1=NC(Cl)=NC2N([C@@H]3C[C@H](O)[C@@H](CO)O3)C=NC1=2 |&1:8,10,12,r|

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