Bethanechol-d6 (chloride)

Bethanechol-d6 is intended for use as an internal standard for the quantification of bethanechol (Cay-23830) by GC- or LC-MS. Bethanechol is an agonist of muscarinic acetylcholine receptors with IC50 values of 1,837, 25, 631, 317, and 393 µM for M1-5, respectively, in a radioligand binding assay using CHO cells expressing the human receptors. It inhibits M2-mediated increases in cyclic AMP induced by isoproterenol (Cay-15592) in isolated guinea pig small intestine (IC50 = 127 µM). Bethanechol increases basal tone of isolated porcine intravesical ureter (EC50 = 4.27 µM). It also induces fluid secretion in the ileum, duodenum, and jejunum of anesthetized rats when administered at a dose of 60 µg/kg. Formulations containing bethanechol have been used to increase urination and improve smooth muscle tone in the gastrointestinal tract.Formal Name: 2-[(aminocarbonyl)oxy]-N-methyl-N,N-di(methyl-d3)-1-propanaminium, monochloride. Synonyms: (±)-Bethanechol-d6. Molecular Formula: C7H11D6N2O2 . Cl. Formula Weight: 202.7. Purity: >99% deuterated forms (d1-d6). Formulation: (Request formulation change), A solid. Solubility: DMSO: soluble, Water: soluble. SMILES: CC(OC(N)=O)C[N+](C([2H])([2H])[2H])(C)C([2H])([2H])[2H].[Cl-]. InChi Code: InChI=1S/C7H16N2O2.ClH/c1-6(11-7(8)10)5-9(2,3)4,/h6H,5H2,1-4H3,(H-,8,10),1H/i2D3,3D3,. InChi Key: XXRMYXBSBOVVBH-HVTBMTIBSA-N.