Meglucycline
[CAS# 31770-79-3]

Identification

• Name: Meglucycline
• Synonyms: (2Z)-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-2-[Hydroxy-[[[(2R,3S,4S,5R,6S)-2,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-3-Yl]Amino]Methylamino]Methylene]-6-Methyl-4,4A,5,5A-Tetrahydrotetracene-1,3,12-Trione; (2Z)-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-2-[Hydroxy-[[[(2R,3S,4S,5R,6S)-2,4,5-Trihydroxy-6-(Hydroxymethyl)-3-Tetrahydropyranyl]Amino]Methylamino]Methylene]-6-Methyl-4,4A,5,5A-Tetrahydrotetracene-1,3,12-Trione; (2Z)-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-2-[Hydroxy-[[[(2R,3S,4S,5R,6S)-2,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-3-Yl]Amino]Methylamino]Methylene]-6-Methyl-4,4A,5,5A-Tetrahydrotetracene-1,3,12-Trione
• Molecular Formula: C₂₉H₃₇N₃O₁₃
• Molecular Weight: 635.62
• CAS Registry Number: 31770-79-3
• SMILES: [C@H]5(NCNC(/O)=C4/C(=O)C2(O)C(CC1C(O)(C3=C(C(=C1C2=O)O)C(=CC=C3)O)C)C(N(C)C)C4=O)[C@H](O)[C@@H](O)[C@@H](O[C@H]5O)CO
• InChI: 1S/C29H37N3O13/c1-28(43)10-5-4-6-13(34)15(10)21(36)16-11(28)7-12-19(32(2)3)22(37)17(25(40)29(12,44)24(16)39)26(41)31-9-30-18-23(38)20(35)14(8-33)45-27(18)42/h4-6,11-12,14,18-20,23,27,30-31,33-36,38,41-44H,7-9H2,1-3H3/b26-17-/t11?,12?,14-,18-,19?,20-,23-,27+,28?,29?/m0/s1
• InChIKey: AXMXPZNWWREJBE-IIFQFIEDSA-N

Properties

• Density: 1.703g/cm³ (Cal.)
• Boiling point: 924°C at 760 mmHg (Cal.)
• Flash point: 512.617°C (Cal.)