Berodual
[CAS# 115112-73-7]

Identification

• Name: Berodual
• Synonyms: 5-[1-Hydroxy-2-[[2-(4-Hydroxyphenyl)-1-Methyl-Ethyl]Amino]Ethyl]Benzene-1,3-Diol; (8-Isopropyl-8-Methyl-8-Azoniabicyclo[3.2.1]Octan-3-Yl) 3-Hydroxy-2-Phenyl-Propanoate; Bromide; Hydrobromide; 5-[1-Hydroxy-2-[[2-(4-Hydroxyphenyl)-1-Methylethyl]Amino]Ethyl]Benzene-1,3-Diol; 3-Hydroxy-2-Phenylpropanoic Acid (8-Isopropyl-8-Methyl-8-Azoniabicyclo[3.2.1]Octan-3-Yl) Ester
• Molecular Formula: C₃₇H₅₂Br₂N₂O₇
• Molecular Weight: 796.64
• CAS Registry Number: 115112-73-7
• SMILES: [H+].C(O)C(C(OC2CC1[N+](C(CC1)C2)(C(C)C)C)=O)C3=CC=CC=C3.[Br-].C(C(NCC(O)C4=CC(=CC(=C4)O)O)C)C5=CC=C(O)C=C5.[Br-]
• InChI: 1S/C20H30NO3.C17H21NO4.2BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13;;/h4-8,14,16-19,22H,9-13H2,1-3H3;2-5,7-9,11,17-22H,6,10H2,1H3;2*1H/q+1;;;/p-1
• InChIKey: WYOWAXDWPIYPNZ-UHFFFAOYSA-M