Cytarabine hydrochloride

C₉H₁₄ClN₃O₅CAS 69-74-9279.68 g/mol

Open in Covalent MOL file

Alcohol Ether Phenol

Properties

Molecular formula: C₉H₁₄ClN₃O₅
Molar mass: 279.68 g/mol
Exact mass: 279.0622 Da
Melting point: 186–188 °C
Water solubility: ≥ 100 g/L (17.2 °C)
logP: -1.90Crippen estimate
Polar surface area: 131.8 Å²
H-bond donors / acceptors: 5 / 7
Rotatable bonds: 2
Stereocentres: R, R, S, Sin SMILES atom order

Hazards

Warning

H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H341 Suspected of causing genetic defects95% of notifiers
H361 Suspected of damaging fertility or the unborn child100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P318, P321, P333+P317, P337+P317, P362+P364, P405, P501

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

Weigh it out

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

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cytarabine147-94-4Free base Cytidine65-46-3Free base, diastereomer Cytidine, sulfate (salt)32747-18-5Salt, diastereomer

Similar compounds

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 Ancitabine hydrochloride10212-25-664 % similar 2′-Deoxycytidine hydrochloride3992-42-564 % similar Polycytidylic acid30811-80-463 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook