chempirical

Mitoxantrone hydrochloride

C22H30Cl2N4O6CAS 70476-82-3517.40 g/mol

Open in Covalent MOL file
HClHClOHOOHONHHNOHHNNHHO
AlcoholKetonePhenolSecondary amine

Properties

Molecular formula
C22H30Cl2N4O6
Molar mass
517.40 g/mol
Exact mass
516.1542 Da
Melting point
5–203 °C
logP
0.70Crippen estimate
Polar surface area
163.2 Ų
H-bond donors / acceptors
8 / 10
Rotatable bonds
12

Identifiers

CAS number
70476-82-3
SMILES
Cl.Cl.O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21
InChIKey
ZAHQPTJLOCWVPG-UHFFFAOYSA-N
InChI
InChI=1S/C22H28N4O6.2ClH/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32;;/h1-4,23-30H,5-12H2;2*1H

Weigh it out

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

Names and synonyms

14 names · show all
  • 9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-, hydrochloride (1:2)
  • 9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-, dihydrochloride
  • CL 232315
  • NSC 301739
  • DHAD
  • Novantrone
  • Mitoxantrone dihydrochloride
  • Bisantrone
  • Novatrone
  • Immunex
  • NCI 301739
  • Novantron
  • Mitoxantrone HCl
  • PW 3405

Work with Mitoxantrone 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

Similar compounds

Mitoxantrone65271-80-992 % similar 1,4,5,8-Tetrahydroxy-9,10-anthracenedione81-60-745 % similar 1,5-Diamino-4,8-dihydroxy-9,10-anthracenedione145-49-338 % similar Diethanolamine hydrochloride14426-21-237 % similar Quinalizarin81-61-836 % similar Oil blue 3517354-14-235 % similar Dithranol1143-38-034 % similar 1,5-Dihydroxy-4,8-dinitro-9,10-anthracenedione128-91-634 % similar

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

Elsewhere

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