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Octylonium Bromide, TRC
Specifications
Specifications
| Chemical Name or Material | Octylonium Bromide |
| CAS | 26095-59-0 |
| Purity Grade Notes | HPLC |
| Molecular Formula | C29 H43 N2 O4 . Br |
| Quantity | 1 g |
| Synonym | Ethanaminium','N,N-diethyl-N-methyl-2-[[4-[[2-(octyloxy)benzoyl]amino]benzoyl]oxy]-','bromide (1:1), Ammonium','diethyl(2-hydroxyethyl)methyl-','bromide','p-[o-(octyloxy)benzamido]benzoate (8CI), Ethanaminium','N,N-diethyl-N-methyl-2-[[4-[[2-(octyloxy)benzoyl]amino]benzoyl]oxy]-','bromide (9CI), Benzoic acid','p-[o-(octyloxy)benzamido]-','ester with diethyl(2-hydroxyethyl)methylammonium bromide (8CI), Octylonium bromide, Otilonium bromide, SP 63, Spasmomen |
| InChI Formula | InChI=1S/C29H42N2O4.BrH/c1-5-8-9-10-11-14-22-34-27-16-13-12-15-26(27)28(32)30-25-19-17-24(18-20-25)29(33)35-23-21-31(4,6-2)7-3;/h12-13,15-20H,5-11,14,21-23H2,1-4H3;1H |
| SMILES | [Br-].CCCCCCCCOc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OCC[N+](C)(CC)CC |
| IUPAC Name | diethyl-methyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium;bromide |
| Molecular Weight (g/mol) | 563.57 |
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