Pixantrone

C₁₇H₁₉N₅O₂CAS 144510-96-3325.37 g/mol

Open in Covalent MOL file

Ketone Primary amine Secondary 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 Å²
H-bond donors / acceptors: 4 / 7
Rotatable bonds: 6

Hazards

Danger

H300 Fatal if swallowed50% of notifiers
H310 Fatal in contact with skin50% of notifiers
H330 Fatal if inhaled50% of notifiers
H341 Suspected of causing genetic defects50% of notifiers
H361d Suspected of damaging the unborn child50% of notifiers
H370 Causes damage to organs50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P308+P316, P316, P318, P320, P321, P330, P361+P364, P403+P233, P405, P501

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

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.

Pixantrone maleate144675-97-8Salt

Similar compounds

Oil blue 3517354-14-245 % similar Solvent blue 596994-46-342 % similar C.I. Disperse blue 32475-46-941 % similar Disperse blue 142475-44-736 % similar Pyridine-3,4-dicarboxylic anhydride4664-08-834 % similar Cinchomeronic acid490-11-934 % similar 1H-Pyrrolo[3,2-c]pyridin-2(3H)-one134682-54-534 % similar Mitoxantrone65271-80-934 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia