2-[5-(4-Methoxybenzoyl)-10-Methyl-4H-Pyrrolo[1,2-b][1,2,5]Benzotriazepin-4-Yl]Acetic Acid
[CAS# 131967-20-9]

Identification

• Name: 2-[5-(4-Methoxybenzoyl)-10-Methyl-4H-Pyrrolo[1,2-b][1,2,5]Benzotriazepin-4-Yl]Acetic Acid
• Synonyms: 2-[5-[(4-Methoxyphenyl)-Oxomethyl]-10-Methyl-4H-Pyrrolo[1,2-B][1,2,5]Benzotriazepin-4-Yl]Acetic Acid; 2-[5-(4-Methoxyphenyl)Carbonyl-10-Methyl-4H-Pyrrolo[1,2-B][1,2,5]Benzotriazepin-4-Yl]Ethanoic Acid; 5H-Pyrrolo(1,2-B)(1,2,5)Benzotriazepine-11-Acetic Acid, 10,11-Dihydro-10-(4-Methoxybenzoyl)-5-Methyl-
• Molecular Formula: C₂₂H₂₁N₃O₄
• Molecular Weight: 391.43
• CAS Registry Number: 131967-20-9
• SMILES: C4=C2[N](N(C1=CC=CC=C1N(C2CC(=O)O)C(=O)C3=CC=C(OC)C=C3)C)C=C4
• InChI: 1S/C22H21N3O4/c1-23-17-6-3-4-7-19(17)25(22(28)15-9-11-16(29-2)12-10-15)20(14-21(26)27)18-8-5-13-24(18)23/h3-13,20H,14H2,1-2H3,(H,26,27)
• InChIKey: VEGYGKDKQZDMTG-UHFFFAOYSA-N

Properties

• Density: 1.298g/cm³ (Cal.)
• Boiling point: 634.861°C at 760 mmHg (Cal.)
• Flash point: 337.752°C (Cal.)