chempirical

Anagrelide

C10H7Cl2N3OCAS 68475-42-3256.09 g/mol

Open in Covalent MOL file
OHNNClClN
Aryl halide

Properties

Molecular formula
C10H7Cl2N3O
Molar mass
256.09 g/mol
Exact mass
254.9966 Da
logP
2.77Crippen estimate
Polar surface area
48.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
68475-42-3
SMILES
OC1=NC2=Nc3ccc(Cl)c(Cl)c3CN2C1
InChIKey
OTBXOEAOVRKTNQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)

Weigh it out

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

Names and synonyms

3 names
  • Imidazo[2,1-b]quinazolin-2(3H)-one, 6,7-dichloro-1,5-dihydro-
  • 6,7-Dichloro-1,5-dihydroimidazo[2,1-b]quinazolin-2(3H)-one
  • Xagrid

Work with Anagrelide

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.

Anagrelide hydrochloride58579-51-4Salt

Similar compounds

1-(Phenylmethyl)-2,4-imidazolidinedione6777-05-533 % similar N-(2,5-Dichlorophenyl)-3-oxobutanamide2044-72-630 % similar 3,4-Dihydro-5-hydroxy-2(1H)-quinolinone30389-33-430 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook