chempirical

Pixantrone maleate

C21H23N5O6CAS 144675-97-8441.44 g/mol

Open in Covalent MOL file
H2NNHNHNH2ONOOHOOOH
AlkeneCarboxylic acidKetonePrimary amineSecondary 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 Ų
H-bond donors / acceptors
6 / 9
Rotatable bonds
8

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

Similar compounds

Pixantrone144510-96-380 % similar Oil blue 3517354-14-238 % similar Solvent blue 596994-46-335 % similar 3-(4-Pyridinyl)-2-propenoic acid5337-79-135 % similar 3-(3-Pyridinyl)-2-propenoic acid1126-74-535 % similar trans-3-(3-Pyridyl)acrylic acid19337-97-435 % similar Cinchomeronic acid490-11-933 % similar 5H-Dibenz[B,E]azepine-6-methanamine, 6,11-dihydro-, (2E)-2-butenedioate (1:1)127785-96-032 % similar

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

Elsewhere

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