(E)-3-[(6R)-6-Hydroxy-4-Methoxy-11-Oxo-5,6,6a,7-Tetrahydropyrrolo[5,1-c][1,4]Benzodiazepin-8-Yl]-N,N-Dimethylprop-2-Enamide
[CAS# 110652-73-8]

Identification

• Name: (E)-3-[(6R)-6-Hydroxy-4-Methoxy-11-Oxo-5,6,6a,7-Tetrahydropyrrolo[5,1-c][1,4]Benzodiazepin-8-Yl]-N,N-Dimethylprop-2-Enamide
• Synonyms: (E)-3-[(6R)-6-Hydroxy-4-Methoxy-11-Oxo-5,6,6A,7-Tetrahydropyrrolo[5,1-C][1,4]Benzodiazepin-8-Yl]-N,N-Dimethyl-Prop-2-Enamide; (E)-3-[(6R)-6-Hydroxy-11-Keto-4-Methoxy-5,6,6A,7-Tetrahydropyrrolo[5,1-C][1,4]Benzodiazepin-8-Yl]-N,N-Dimethyl-Acrylamide; Porothramycin
• Molecular Formula: C₁₈H₂₁N₃O₄
• Molecular Weight: 343.38
• CAS Registry Number: 110652-73-8
• SMILES: [C@H]2(O)NC1=C(OC)C=CC=C1C(=O)N3C2CC(=C3)\C=C\C(=O)N(C)C
• InChI: 1S/C18H21N3O4/c1-20(2)15(22)8-7-11-9-13-17(23)19-16-12(18(24)21(13)10-11)5-4-6-14(16)25-3/h4-8,10,13,17,19,23H,9H2,1-3H3/b8-7+/t13?,17-/m1/s1
• InChIKey: OQMYRVPMCIOFHL-GCOHUWJYSA-N

Properties

• Density: 1.353g/cm³ (Cal.)
• Boiling point: 634.921°C at 760 mmHg (Cal.)
• Flash point: 337.788°C (Cal.)