chempirical

Pixantrone

C17H19N5O2CAS 144510-96-3325.37 g/mol

Open in Covalent MOL file
H2NNHNHNH2ONO
KetonePrimary amineSecondary amine

Properties

Molecular formula
C17H19N5O2
Molar mass
325.37 g/mol
Exact mass
325.1539 Da
logP
0.60Crippen estimate
Polar surface area
123.1 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
6

Identifiers

CAS number
144510-96-3
SMILES
NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O
InChIKey
PEZPMAYDXJQYRV-UHFFFAOYSA-N
InChI
InChI=1S/C17H19N5O2/c18-4-7-21-12-1-2-13(22-8-5-19)15-14(12)16(23)10-3-6-20-9-11(10)17(15)24/h1-3,6,9,21-22H,4-5,7-8,18-19H2

Weigh it out

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

Names and synonyms

2 names
  • Benz[g]isoquinoline-5,10-dione, 6,9-bis[(2-aminoethyl)amino]-
  • 6,9-Bis[(2-aminoethyl)amino]benz[g]isoquinoline-5,10-dione

Work with Pixantrone

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

Pixantrone maleate144675-97-880 % similar Oil blue 3517354-14-245 % similar Solvent blue 596994-46-342 % similar Disperse blue 142475-44-736 % similar Cinchomeronic acid490-11-934 % similar Mitoxantrone65271-80-934 % similar Oil blue A14233-37-533 % similar 1,4-Bis[(2,6-diethyl-4-methylphenyl)amino]-9,10-anthracenedione32724-62-233 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia