91183-87-8 Purity
---
If you have any other questions or need other size, please get a quote.
Specification
The molecular formula of Teloxantrone is C21H25N5O4.
The molecular weight of Teloxantrone is 411.5 g/mol.
The IUPAC name of Teloxantrone is 6,8-dihydroxy-14-[2-(2-hydroxyethylamino)ethyl]-10-[2-(methylamino)ethylimino]-14,15-diazatetracyclo[7.6.1.0 2,7 .0 13,16 ]hexadeca-1,4,6,8,11,13(16)-hexaen-3-one.
The InChI of Teloxantrone is InChI=1S/C21H25N5O4/c1-22-6-7-24-12-2-3-13-17-16(12)21(30)19-15(29)5-4-14(28)18(19)20(17)25-26(13)10-8-23-9-11-27/h2-5,22-23,25,27,29-30H,6-11H2,1H3.
The InChIKey of Teloxantrone is WOPAVGQTOMNFGS-UHFFFAOYSA-N.
The Canonical SMILES of Teloxantrone is CNCCN=C1C=CC2=C3C1=C(C4=C(C=CC(=O)C4=C3NN2CCNCCO)O)O.
The CAS number of Teloxantrone is 91441-48-4.
The ChEMBL ID of Teloxantrone is CHEMBL24329.
Teloxantrone has 6 hydrogen bond donor counts.
The topological polar surface area of Teloxantrone is 129 Ų.