1-acetyl-7,9-bis(acetyloxy)-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,9,9a-hexahydro-3,9-Epoxy-3H-azirino(2,3-c)(1)benzazocine-5-carboxaldehyde
[CAS# 113202-60-1]

Identification

• Name: 1-acetyl-7,9-bis(acetyloxy)-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,9,9a-hexahydro-3,9-Epoxy-3H-azirino(2,3-c)(1)benzazocine-5-carboxaldehyde
• Synonyms: 3,9-Epoxy-3H-Azirino(2,3-C)(1)Benzazocine-5-Carboxaldehyde, 1-Acetyl-7,9-Bis(Acetyloxy)-8-(((Aminocarbonyl)Oxy)Methyl)-1,1A,2,8,9,9A-Hexahydro-; Ccris 6861; Fr 66973
• Molecular Formula: C₂₀H₂₁N₃O₉
• Molecular Weight: 447.40
• CAS Registry Number: 113202-60-1
• SMILES: C1=C(C=C(OC(=O)C)C4=C1N3OC(OC(=O)C)(C2N(C2C3)C(=O)C)C4COC(=O)N)C=O
• InChI: 1S/C20H21N3O9/c1-9(25)23-15-6-22-14-4-12(7-24)5-16(30-10(2)26)17(14)13(8-29-19(21)28)20(32-22,18(15)23)31-11(3)27/h4-5,7,13,15,18H,6,8H2,1-3H3,(H2,21,28)
• InChIKey: FBXPCVIKIBWXAE-UHFFFAOYSA-N

Properties

• Density: 1.549g/cm³ (Cal.)
• Boiling point: 673.348°C at 760 mmHg (Cal.)
• Flash point: 361.028°C (Cal.)