1-Fluoro-1-des[2-[(2-Hydroxyethyl)amino]ethylamino] Mitoxantrone - CAS 1195810-93-5
Catalog: |
BB065238 |
Product Name: |
1-Fluoro-1-des[2-[(2-Hydroxyethyl)amino]ethylamino] Mitoxantrone |
CAS: |
1195810-93-5 |
Synonyms: |
1-Fluoro-1-des[2-[(2-Hydroxyethyl)amino]ethylamino] Mitoxantrone; 1-fluoro-5,8-dihydroxy-4-[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione; 1-FLUORO-5,8-DIHYDROXY-4-({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)ANTHRACENE-9,10-DIONE |
IUPAC Name: | 1-fluoro-5,8-dihydroxy-4-[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione |
Molecular Weight: | 360.34 |
Molecular Formula: | C18H17FN2O5 |
Canonical SMILES: | C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)F |
InChI: | InChI=1S/C18H17FN2O5/c19-9-1-2-10(21-6-5-20-7-8-22)14-13(9)17(25)15-11(23)3-4-12(24)16(15)18(14)26/h1-4,20-24H,5-8H2 |
InChI Key: | GQUHUXAZQAECFA-UHFFFAOYSA-N |
Solubility: | Dimethyl Sulfoxide, Methanol |
Appearance: | Dark Purple Solid |
Complexity: | 534 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 360.11214981 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 5 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 360.11214981 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 119Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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