Demecycline
[CAS# 987-02-0]

Identification

• Name: Demecycline
• Synonyms: (2Z,4S,4As,5As,6S,12As)-2-(Amino-Hydroxy-Methylene)-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-4A,5,5A,6-Tetrahydro-4H-Tetracene-1,3,12-Trione; (2Z,4S,4As,5As,6S,12As)-2-(Amino-Hydroxymethylene)-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-4A,5,5A,6-Tetrahydro-4H-Tetracene-1,3,12-Trione; (2Z,4S,4As,5As,6S,12As)-2-(Amino-Hydroxy-Methylidene)-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-4A,5,5A,6-Tetrahydro-4H-Tetracene-1,3,12-Trione
• Molecular Formula: C₂₁H₂₂N₂O₈
• Molecular Weight: 430.41
• CAS Registry Number: 987-02-0
• SMILES: [C@H]24[C@](O)(C(=O)C1=C(O)C3=C([C@@H](O)[C@H]1C2)C=CC=C3O)C(=O)\C(C(=O)[C@H]4N(C)C)=C(/O)N
• InChI: 1S/C21H22N2O8/c1-23(2)14-9-6-8-12(16(26)11-7(15(8)25)4-3-5-10(11)24)18(28)21(9,31)19(29)13(17(14)27)20(22)30/h3-5,8-9,14-15,24-26,30-31H,6,22H2,1-2H3/b20-13-/t8-,9-,14-,15+,21-/m0/s1
• InChIKey: KTIOJFRKELBUDC-IKGWGOLOSA-N

Properties

• Density: 1.692g/cm³ (Cal.)
• Boiling point: 693.517°C at 760 mmHg (Cal.)
• Flash point: 373.226°C (Cal.)