Anthramycin
[CAS# 4803-27-4]

Identification

• Name: Anthramycin
• Synonyms: (E)-3-(4,6-Dihydroxy-3-Methyl-11-Oxo-5,6,6A,7-Tetrahydropyrrolo[5,1-C][1,4]Benzodiazepin-8-Yl)Prop-2-Enamide; (E)-3-(4,6-Dihydroxy-11-Keto-3-Methyl-5,6,6A,7-Tetrahydropyrrolo[5,1-C][1,4]Benzodiazepin-8-Yl)Acrylamide; 3-(4,6-Dihydroxy-11-Keto-3-Methyl-5,6,6A,7-Tetrahydropyrrolo[5,1-C][1,4]Benzodiazepin-8-Yl)Acrylamide
• Molecular Formula: C₁₆H₁₇N₃O₄
• Molecular Weight: 315.33
• CAS Registry Number: 4803-27-4
• SMILES: C1=CC(=C(C2=C1C(N3C(C(N2)O)CC(=C3)/C=C/C(=O)N)=O)O)C
• InChI: 1S/C16H17N3O4/c1-8-2-4-10-13(14(8)21)18-15(22)11-6-9(3-5-12(17)20)7-19(11)16(10)23/h2-5,7,11,15,18,21-22H,6H2,1H3,(H2,17,20)/b5-3+
• InChIKey: VGQOVCHZGQWAOI-HWKANZROSA-N

Properties

• Density: 1.505g/cm³ (Cal.)
• Boiling point: 679.872°C at 760 mmHg (Cal.)
• Flash point: 364.974°C (Cal.)

References

• (1): Liangcheng Du and Lili Lou. PKS and NRPS release mechanisms, Nat. Prod. Rep., 2010, 27, 255.