14-Chlorodaunorubicin
[CAS# 121250-06-4]

Identification

• Name: 14-Chlorodaunorubicin
• Synonyms: 7-(4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-9-(2-Chloroacetyl)-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; 7-[(4-Amino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-9-(2-Chloro-1-Oxoethyl)-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; 7-(4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-9-(2-Chloroacetyl)-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₂₇H₂₈ClNO₁₀
• Molecular Weight: 561.97
• CAS Registry Number: 121250-06-4
• SMILES: C5=C4C(=O)C1=C(C(=C2C(=C1O)CC(O)(CC2OC3OC(C(O)C(N)C3)C)C(=O)CCl)O)C(=O)C4=C(OC)C=C5
• InChI: 1S/C27H28ClNO10/c1-10-22(31)13(29)6-17(38-10)39-15-8-27(36,16(30)9-28)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,31,33,35-36H,6-9,29H2,1-2H3
• InChIKey: YPCKPOWJKPVJRQ-UHFFFAOYSA-N

Properties

• Density: 1.603g/cm³ (Cal.)
• Boiling point: 793.817°C at 760 mmHg (Cal.)
• Flash point: 433.885°C (Cal.)