N-(1-Carboethoxylpropen-2-Yl)Daunorubicin
[CAS# 95897-98-6]

Identification

• Name: N-(1-Carboethoxylpropen-2-Yl)Daunorubicin
• Synonyms: Ethyl 3-[[6-[(3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl)Oxy]-3-Hydroxy-2-Methyloxan-4-Yl]Amino]But-2-Enoate; Ethyl 3-[[6-[(3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl)Oxy]-3-Hydroxy-2-Me
• Molecular Formula: C₃₃H₃₇NO₁₂
• Molecular Weight: 639.65
• CAS Registry Number: 95897-98-6
• SMILES: C5=C4C(=O)C1=C(C(=C2C(=C1O)CC(O)(CC2OC3OC(C(O)C(NC(=C/C(OCC)=O)/C)C3)C)C(=O)C)O)C(=O)C4=C(OC)C=C5
• InChI: 1S/C33H37NO12/c1-6-44-22(36)10-14(2)34-19-11-23(45-15(3)28(19)37)46-21-13-33(42,16(4)35)12-18-25(21)32(41)27-26(30(18)39)29(38)17-8-7-9-20(43-5)24(17)31(27)40/h7-10,15,19,21,23,28,34,37,39,41-42H,6,11-13H2,1-5H3/b14-10+
• InChIKey: MRTOLPUJERYBTF-GXDHUFHOSA-N

Properties

• Density: 1.469g/cm³ (Cal.)
• Boiling point: 841.131°C at 760 mmHg (Cal.)
• Flash point: 462.499°C (Cal.)