chempirical

Cytarabine hydrochloride

C9H14ClN3O5CAS 69-74-9279.68 g/mol

Open in Covalent MOL file
HClHNNOOHOHHOOHN
AlcoholEtherPhenol

Properties

Molecular formula
C9H14ClN3O5
Molar mass
279.68 g/mol
Exact mass
279.0622 Da
Melting point
186–188 °C
logP
-1.90Crippen estimate
Polar surface area
131.8 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
2
Stereocentres
R, R, S, Sin SMILES atom order

Identifiers

CAS number
69-74-9
SMILES
Cl.N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(O)n1
InChIKey
KCURWTAZOZXKSJ-JBMRGDGGSA-N
InChI
InChI=1S/C9H13N3O5.ClH/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8;/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16);1H/t4-,6-,7+,8-;/m1./s1

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Names and synonyms

11 names
  • 2(1H)-Pyrimidinone, 4-amino-1-β-D-arabinofuranosyl-, hydrochloride (1:1)
  • Cytosine, 1-β-D-arabinofuranosyl-, monohydrochloride
  • 2(1H)-Pyrimidinone, 4-amino-1-β-D-arabinofuranosyl-, monohydrochloride
  • U 19920A
  • 1-β-D-Arabinofuranosylcytosine hydrochloride
  • Cytosine arabinoside hydrochloride
  • Aracytidine hydrochloride
  • 1-β-D-Arabinofuranosylcytosine monohydrochloride
  • Arabinofuranosylcytosine hydrochloride
  • Arabinosylcytosine hydrochloride
  • Spongocytidine-hydrochloride

Work with Cytarabine hydrochloride

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

Cytarabine147-94-493 % similar Cytidine65-46-393 % similar Cytidine, sulfate (salt)32747-18-578 % similar 2′-Deoxy-2′-fluorocytidine10212-20-174 % similar 2′-O-Methylcytidine2140-72-971 % similar 2′-O-(2-Methoxyethyl)cytidine223777-16-065 % similar 3′-Cmp84-52-665 % similar 2′-Cytidylic acid85-94-965 % similar

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

Elsewhere

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