Nitrocycline
[CAS# 5585-59-1]

Identification

• Name: Nitrocycline
• Synonyms: (2Z,4S,4As,5Ar,12As)-2-(Amino-Hydroxy-Methylene)-4-Dimethylamino-10,11,12A-Trihydroxy-7-Nitro-4A,5,5A,6-Tetrahydro-4H-Tetracene-1,3,12-Trione; (2Z,4S,4As,5Ar,12As)-2-(Amino-Hydroxymethylene)-4-Dimethylamino-10,11,12A-Trihydroxy-7-Nitro-4A,5,5A,6-Tetrahydro-4H-Tetracene-1,3,12-Trione; (2Z,4S,4As,5Ar,12As)-2-(Amino-Hydroxy-Methylidene)-4-Dimethylamino-10,11,12A-Trihydroxy-7-Nitro-4A,5,5A,6-Tetrahydro-4H-Tetracene-1,3,12-Trione
• Molecular Formula: C₂₁H₂₁N₃O₉
• Molecular Weight: 459.41
• CAS Registry Number: 5585-59-1
• SMILES: [C@H]34[C@](O)(C(=O)C2=C(O)C1=C(O)C=CC(=C1C[C@H]2C3)[N+]([O-])=O)C(=O)\C(C(=O)[C@H]4N(C)C)=C(/O)N
• InChI: 1S/C21H21N3O9/c1-23(2)15-9-6-7-5-8-10(24(32)33)3-4-11(25)13(8)16(26)12(7)18(28)21(9,31)19(29)14(17(15)27)20(22)30/h3-4,7,9,15,25-26,30-31H,5-6,22H2,1-2H3/b20-14-/t7-,9-,15-,21-/m0/s1
• InChIKey: UOXHDKGEXXQYMO-DPVRRCEMSA-N

Properties

• Density: 1.718g/cm³ (Cal.)
• Boiling point: 691.854°C at 760 mmHg (Cal.)
• Flash point: 372.22°C (Cal.)