chempirical

Cladribine

C10H12ClN5O3CAS 4291-63-8285.69 g/mol

Open in Covalent MOL file
NH2NClNNNOHHOO
AlcoholAryl halideEtherPrimary amine

Properties

Molecular formula
C10H12ClN5O3
Molar mass
285.69 g/mol
Exact mass
285.0629 Da
Melting point
208–210 °C
logP
-0.30Crippen estimate
Polar surface area
119.3 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
2
Stereocentres
R, S, Rin SMILES atom order

Identifiers

CAS number
4291-63-8
SMILES
Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
InChIKey
PTOAARAWEBMLNO-KVQBGUIXSA-N
InChI
InChI=1S/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+/m0/s1

Weigh it out

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

Names and synonyms

19 names · show all
  • Adenosine, 2-chloro-2′-deoxy-
  • 2-Chloro-2′-deoxyadenosine
  • 2-Chloro-2′-deoxy-β-adenosine
  • 2-Chloro-6-amino-9-(2-deoxy-β-D-erythro-pentofuranosyl)purine
  • 2-Chlorodeoxyadenosine
  • NSC 105014-F
  • RWJ 26251
  • Leustatin
  • 2-CdA
  • Cladarabine
  • NSC 105014
  • CldAdo
  • Jk 6251
  • Biodribin
  • Leustat
  • (2R,3S,5R)-5-(6-Amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
  • Vero-cladribine
  • Mavenclad
  • Litak

Work with Cladribine

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

Deoxyadenosine958-09-871 % similar 2-Chloroadenosine146-77-065 % similar 2-Amino-2′-deoxyadenosine4546-70-762 % similar Adenosine, 2-chloro-, hydrate (2:1)81012-94-461 % similar Clofarabine123318-82-160 % similar Deoxyinosine890-38-058 % similar 5-Aza-2′-deoxycytidine2353-33-555 % similar 2′-Deoxy-N6-methyladenosine2002-35-954 % similar

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

Same formula

5′-Chloro-5′-deoxyadenosine892-48-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook