For research use only. Not for therapeutic Use.
Methylbenactyzium Bromide is a muscarinic acetylcholine receptor (mAChR) inhibitor.
| Catalog Number | I013131 |
| CAS Number | 3166-62-9 |
| Molecular Formula | C₂₁H₂₈BrNO₃ |
| Purity | ≥95% |
| Target | mAChR |
| Solubility | DMSO: 6 mg/mL |
| IUPAC Name | diethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-methylazanium;bromide |
| InChI | InChI=1S/C21H28NO3.BrH/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,24H,4-5,16-17H2,1-3H3;1H/q+1;/p-1 |
| InChIKey | DKMVJQCQTCLYIF-UHFFFAOYSA-M |
| SMILES | CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[Br-] |
| Reference | [1]. Bhattacharjee AK, et al. Discovery of subtype selective muscarinic receptor antagonists as alternatives to atropine using in silico pharmacophore modeling and virtual screening methods. Bioorg Med Chem. 2013 May 1;21(9):2651-62. <br>[2]. Nishikawa M, et al. Analysis of methylbenactyzium bromide in human urine by thin-layer chromatography and pyrolysis gas chromatography. Forensic Sci Int. 1991 Mar;49(2):197-203. |
