3'-Desamino-3'-Dimethylformamidinedoxorubicin
[CAS# 119864-31-2]

Identification

• Name: 3'-Desamino-3'-Dimethylformamidinedoxorubicin
• Synonyms: N'-[(2S,3S,4S,6R)-3-Hydroxy-2-Methyl-6-[[(1S,3S)-3,5,12-Trihydroxy-3-(2-Hydroxyacetyl)-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]Tetrahydropyran-4-Yl]-N,N-Dimethyl-Formamidine; N'-[(2S,3S,4S,6R)-3-Hydroxy-2-Methyl-6-[[(1S,3S)-3,5,12-Trihydroxy-3-(2-Hydroxy-1-Oxoethyl)-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-4-Tetrahydropyranyl]-N,N-Dimethylformamidine; N'-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-Glycoloyl-3,5,12-Trihydroxy-6,11-Diketo-10-Methoxy-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-3-Hydroxy-2-Methyl-Tetrahydropyran-4-Yl]-N,N-Dimethyl-Formamidine
• Molecular Formula: C₃₀H₃₄N₂O₁₁
• Molecular Weight: 598.61
• CAS Registry Number: 119864-31-2
• SMILES: [C@@H]3(O[C@@H]1O[C@H]([C@@H](O)[C@@H](N=CN(C)C)C1)C)C2=C(O)C4=C(C(=C2C[C@](O)(C3)C(=O)CO)O)C(=O)C5=C(C4=O)C(=CC=C5)OC
• InChI: 1S/C30H34N2O11/c1-13-25(35)16(31-12-32(2)3)8-20(42-13)43-18-10-30(40,19(34)11-33)9-15-22(18)29(39)24-23(27(15)37)26(36)14-6-5-7-17(41-4)21(14)28(24)38/h5-7,12-13,16,18,20,25,33,35,37,39-40H,8-11H2,1-4H3/t13-,16-,18-,20-,25+,30-/m0/s1
• InChIKey: ULJQQPCJMGOUAT-JCBJOBGESA-N

Properties

• Density: 1.547g/cm³ (Cal.)
• Boiling point: 830.562°C at 760 mmHg (Cal.)
• Flash point: 456.108°C (Cal.)