N-(2-Hydroxyethyl)Doxorubicin
[CAS# 103851-20-3]

Identification

• Name: N-(2-Hydroxyethyl)Doxorubicin
• Synonyms: 6,9,11-Trihydroxy-9-(2-Hydroxyacetyl)-7-[4-Hydroxy-3-(2-Hydroxyethylamino)-5-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; 6,9,11-Trihydroxy-7-[[4-Hydroxy-3-(2-Hydroxyethylamino)-5-Methyl-2-Tetrahydropyranyl]Oxy]-9-(2-Hydroxy-1-Oxoethyl)-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; 9-Glycoloyl-6,9,11-Trihydroxy-7-[4-Hydroxy-3-(2-Hydroxyethylamino)-5-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₂₉H₃₃NO₁₂
• Molecular Weight: 587.58
• CAS Registry Number: 103851-20-3
• SMILES: C1=CC=C(OC)C3=C1C(=O)C2=C(O)C5=C(C(=C2C3=O)O)C(OC4OCC(C(O)C4NCCO)C)CC(O)(C5)C(=O)CO
• InChI: 1S/C29H33NO12/c1-12-11-41-28(22(23(12)34)30-6-7-31)42-16-9-29(39,17(33)10-32)8-14-19(16)27(38)21-20(25(14)36)24(35)13-4-3-5-15(40-2)18(13)26(21)37/h3-5,12,16,22-23,28,30-32,34,36,38-39H,6-11H2,1-2H3
• InChIKey: HJGSENVQDBKIJB-UHFFFAOYSA-N

Properties

• Density: 1.588g/cm³ (Cal.)
• Boiling point: 882.129°C at 760 mmHg (Cal.)
• Flash point: 487.294°C (Cal.)