chempirical

Anagrelide hydrochloride

C10H8Cl3N3OCAS 58579-51-4292.54 g/mol

Open in Covalent MOL file
HClOHNNClClN
Aryl halide

Properties

Molecular formula
C10H8Cl3N3O
Molar mass
292.54 g/mol
Exact mass
290.9733 Da
Melting point
above 280 °C
logP
3.19Crippen 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
58579-51-4
SMILES
Cl.OC1=NC2=Nc3ccc(Cl)c(Cl)c3CN2C1
InChIKey
TVWRQCIPWUCNMI-UHFFFAOYSA-N
InChI
InChI=1S/C10H7Cl2N3O.ClH/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);1H

Weigh it out

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Names and synonyms

7 names
  • Imidazo[2,1-b]quinazolin-2(3H)-one, 6,7-dichloro-1,5-dihydro-, hydrochloride (1:1)
  • Imidazo[2,1-b]quinazolin-2(3H)-one, 6,7-dichloro-1,5-dihydro-, monohydrochloride
  • BL 4162A
  • Agrelin
  • BMY 26538-01
  • Agrylin
  • 6,7-Dichloro-1,5-dihydroimidazo[2,1-b]quinazolin-2(3H)-one Hydrochloride

Work with Anagrelide 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.

Anagrelide68475-42-3Free base

Similar compounds

Guanfacine hydrochloride29110-48-334 % similar 1-(Phenylmethyl)-2,4-imidazolidinedione6777-05-531 % similar

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

Elsewhere

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