Delmetacin
[CAS# 16401-80-2]

Identification

• Name: Delmetacin
• Synonyms: 2-[1-(Benzoyl)-2-Methyl-Indol-3-Yl]Acetic Acid; 2-[2-Methyl-1-(Oxo-Phenylmethyl)-3-Indolyl]Acetic Acid; 2-(2-Methyl-1-Phenylcarbonyl-Indol-3-Yl)Ethanoic Acid
• Molecular Formula: C₁₈H₁₅NO₃
• Molecular Weight: 293.32
• CAS Registry Number: 16401-80-2
• SMILES: C1=CC=CC2=C1[N](C(=C2CC(O)=O)C)C(C3=CC=CC=C3)=O
• InChI: 1S/C18H15NO3/c1-12-15(11-17(20)21)14-9-5-6-10-16(14)19(12)18(22)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,21)
• InChIKey: AZCOEIZFVQEQCU-UHFFFAOYSA-N

Properties

• Density: 1.229g/cm³ (Cal.)
• Boiling point: 433.184°C at 760 mmHg (Cal.)
• Flash point: 215.782°C (Cal.)