14-Bromodaunorubicin
[CAS# 65026-79-1]

Identification

• Name: 14-Bromodaunorubicin
• Synonyms: (7S,9S)-7-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9-(2-Bromoacetyl)-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-7-[[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-9-(2-Bromo-1-Oxoethyl)-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-7-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9-(2-Bromoacetyl)-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₂₇H₂₈BrNO₁₀
• Molecular Weight: 606.42
• CAS Registry Number: 65026-79-1
• SMILES: [C@@H]5(O[C@@H]1O[C@H]([C@@H](O)[C@@H](N)C1)C)C2=C(C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)C[C@](O)(C5)C(=O)CBr
• InChI: 1S/C27H28BrNO10/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/t10-,13-,15-,17-,22+,27-/m0/s1
• InChIKey: KQRWYZDETCDVGB-TZSSRYMLSA-N

Properties

• Density: 1.72g/cm³ (Cal.)
• Boiling point: 809.6°C at 760 mmHg (Cal.)
• Flash point: 443.43°C (Cal.)