(4R,4aR,5aR,6S,12aR)-7-Chloro-4-(Dimethylamino)-6,9,10,12A-Tetrahydroxy-1,3,11,12-Tetraoxo-1,2,3,4,4A,5,5A,6,11,11A,12,12A-Dodecahydro-2-Tetracenecarboxamide
[CAS# 13227-28-6]

Identification

• Name: (4R,4aR,5aR,6S,12aR)-7-Chloro-4-(Dimethylamino)-6,9,10,12A-Tetrahydroxy-1,3,11,12-Tetraoxo-1,2,3,4,4A,5,5A,6,11,11A,12,12A-Dodecahydro-2-Tetracenecarboxamide
• Molecular Formula: C₂₁H₂₁ClN₂O₉
• Molecular Weight: 480.85
• CAS Registry Number: 13227-28-6
• SMILES: O=C1[C@H](N(C)C)[C@H]2C[C@H]3[C@H](O)c4c(C(=O)C3C(=O)[C@@]2(O)C(=O)C1C(=O)N)c(O)c(O)cc4Cl
• InChI: 1S/C21H21ClN2O9/c1-24(2)13-6-3-5-9(18(30)21(6,33)19(31)12(17(13)29)20(23)32)16(28)11-10(14(5)26)7(22)4-8(25)15(11)27/h4-6,9,12-14,25-27,33H,3H2,1-2H3,(H2,23,32)/t5-,6-,9?,12?,13-,14+,21-/m1/s1
• InChIKey: FWVUXMYKEYJXPY-LDJUTBCPSA-N

Properties

• Density: 1.741g/cm³ (Cal.)
• Boiling point: 884.061°C at 760 mmHg (Cal.)
• Flash point: 488.463°C (Cal.)
• Refractive index: 1.719 (Cal.)