Pixantrone maleate

C₂₁H₂₃N₅O₆CAS 144675-97-8441.44 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Ketone Primary amine Secondary amine

Properties

Molecular formula: C₂₁H₂₃N₅O₆
Molar mass: 441.44 g/mol
Exact mass: 441.1648 Da
logP: 0.31Crippen estimate
Polar surface area: 197.7 Å²
H-bond donors / acceptors: 6 / 9
Rotatable bonds: 8

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

144675-97-8

SMILES

NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O.O=C(O)/C=CC(=O)O

InChIKey

GORZTPPEWDXGBU-BTJKTKAUSA-N

InChI

InChI=1S/C17H19N5O2.C4H4O4/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;5-3(6)1-2-4(7)8/h1-3,6,9,21-22H,4-5,7-8,18-19H2;1-2H,(H,5,6)(H,7,8)/b;2-1-

Weigh it out

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

Names and synonyms

5 names

Benz[g]isoquinoline-5,10-dione, 6,9-bis[(2-aminoethyl)amino]-, (2Z)-2-butenedioate (1:2)
Benz[g]isoquinoline-5,10-dione, 6,9-bis[(2-aminoethyl)amino]-, (Z)-2-butenedioate (1:2)
BBR 2778
Pixantrone dimaleate
Pixuvri

Work with Pixantrone maleate

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.

Fumaric acid110-17-8Free acid, defined stereoisomer Maleic acid110-16-7Free acid Poly(maleic acid)26099-09-2Free acid Pixantrone144510-96-3Free base Iron(II) fumarate141-01-5Salt, defined stereoisomer Enalapril maleate76095-16-4Salt, defined stereoisomer Pyrilamine maleate59-33-6Salt Chlorpheniramine maleate113-92-8Salt Timolol maleate26921-17-5Salt, defined stereoisomer Sodium fumarate5873-57-4Salt, defined stereoisomer Clemastine fumarate14976-57-9Salt, defined stereoisomer Calcium fumarate19855-56-2Salt, defined stereoisomer

Similar compounds

Oil blue 3517354-14-238 % similar C.I. Disperse blue 32475-46-937 % similar Solvent blue 596994-46-335 % similar 3-(4-Pyridinyl)-2-propenoic acid5337-79-135 % similar 3-(4-Pyridine)acrylic acid84228-93-335 % similar 3-(3-Pyridinyl)-2-propenoic acid1126-74-535 % similar trans-3-(3-Pyridyl)acrylic acid19337-97-435 % similar Cinchomeronic acid490-11-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook