Thiacycline
[CAS# 59753-24-1]

Identification

• Name: Thiacycline
• Synonyms: (5Ar,6Ar,7R,9Z,10As)-9-(Amino-Hydroxy-Methylene)-7-Dimethylamino-1,10A,12-Trihydroxy-5A,6,6A,7-Tetrahydrobenzo[B]Thioxanthene-8,10,11-Trione; (5Ar,6Ar,7R,9Z,10As)-9-(Amino-Hydroxymethylene)-7-Dimethylamino-1,10A,12-Trihydroxy-5A,6,6A,7-Tetrahydrobenzo[B]Thioxanthene-8,10,11-Trione; (5Ar,6Ar,7R,9Z,10As)-9-(Amino-Hydroxy-Methylidene)-7-Dimethylamino-1,10A,12-Trihydroxy-5A,6,6A,7-Tetrahydrobenzo[B]Thioxanthene-8,10,11-Trione
• Molecular Formula: C₂₀H₂₀N₂O₇S
• Molecular Weight: 432.45
• CAS Registry Number: 59753-24-1
• SMILES: [C@@H]34[C@@](O)(C(=O)C2=C(O)C1=C(O)C=CC=C1S[C@@H]2C3)C(=O)\C(C(=O)[C@@H]4N(C)C)=C(/O)N
• InChI: 1S/C20H20N2O7S/c1-22(2)14-7-6-10-12(15(24)11-8(23)4-3-5-9(11)30-10)17(26)20(7,29)18(27)13(16(14)25)19(21)28/h3-5,7,10,14,23-24,28-29H,6,21H2,1-2H3/b19-13-/t7-,10-,14-,20-/m1/s1
• InChIKey: GXPMDDIXXLKAHA-KJXXDADFSA-N

Properties

• Density: 1.702g/cm³ (Cal.)
• Boiling point: 714.432°C at 760 mmHg (Cal.)
• Flash point: 385.875°C (Cal.)