1-[2-(3,4-Dimethoxyphenyl)Ethyl]-7-Sulfamoylbenzimidazole-5-Carboxylic Acid
[CAS# 72020-20-3]

Identification

• Name: 1-[2-(3,4-Dimethoxyphenyl)Ethyl]-7-Sulfamoylbenzimidazole-5-Carboxylic Acid
• Synonyms: 1-[2-(3,4-Dimethoxyphenyl)Ethyl]-7-Sulfamoyl-Benzimidazole-5-Carboxylic Acid; 1-[2-(3,4-Dimethoxyphenyl)Ethyl]-7-Sulfamoyl-5-Benzimidazolecarboxylic Acid; 1H-Benzimidazole-5-Carboxylic Acid, 7-(Aminosulfonyl)-1-(2-(3,4-Dimethoxyphenyl)Ethyl)-
• Molecular Formula: C₁₈H₁₉N₃O₆S
• Molecular Weight: 405.42
• CAS Registry Number: 72020-20-3
• SMILES: C2=NC1=CC(=CC(=C1[N]2CCC3=CC=C(C(=C3)OC)OC)[S](=O)(=O)N)C(=O)O
• InChI: 1S/C18H19N3O6S/c1-26-14-4-3-11(7-15(14)27-2)5-6-21-10-20-13-8-12(18(22)23)9-16(17(13)21)28(19,24)25/h3-4,7-10H,5-6H2,1-2H3,(H,22,23)(H2,19,24,25)
• InChIKey: LEWCMZUUNABDKA-UHFFFAOYSA-N

Properties

• Density: 1.474g/cm³ (Cal.)
• Boiling point: 702.297°C at 760 mmHg (Cal.)
• Flash point: 378.536°C (Cal.)