Trantelinium
[CAS# 4047-34-1]

Identification

• Name: Trantelinium
• Synonyms: 9H-Xanthene-9-Carboxylic Acid [(1S,5R)-8,8-Dimethyl-8-Azoniabicyclo[3.2.1]Octan-3-Yl] Ester Bromide; Tranthelinium Bromide; Endo-8,8-Dimethyl-3-((9H-Xanthen-9-Ylcarbonyl)Oxy)-8-Azoniabicyclo(3.2.1)Octane, Bromide
• Molecular Formula: C₂₃H₂₆BrNO₃
• Molecular Weight: 444.37
• CAS Registry Number: 4047-34-1
• SMILES: C4(OC(C1C3=C(OC2=C1C=CC=C2)C=CC=C3)=O)C[C@@H]5[N+](C)(C)[C@H](C4)CC5.[Br-]
• InChI: 1S/C23H26NO3.BrH/c1-24(2)15-11-12-16(24)14-17(13-15)26-23(25)22-18-7-3-5-9-20(18)27-21-10-6-4-8-19(21)22;/h3-10,15-17,22H,11-14H2,1-2H3;1H/q+1;/p-1/t15-,16+,17+
• InChIKey: TYLUYQCKBXQXDS-NKZMMAGSSA-M