Scopolamine-13C, d3 Hydrobromide

• CAT Number: R044005
• CAS Number: NA
• Molecular Formula: C₁₆¹³CH₁₉D₃BrNO₄
• Molecular Weight: 388.28
• Purity: ≥95%
• Synonyms: (αS)-α-(Hydroxymethyl)benzeneacetic Acid (1α,2β,4β,5α,7β)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl Ester-13C, d3; Hydrobromide; Scopolammonium-13C, d3 Bromide
• Storage: -20°C
• IUPAC Name: [(1S,2S,4R,5R)-9-(trideuterio(113C)methyl)-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;hydrobromide
• InChI: InChI=1S/C17H21NO4.BrH/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11?,12-,13-,14+,15-,16+;/m1./s1/i1+1D3
• InChIKey: WTGQALLALWYDJH-KDQJYAMUSA-N
• SMILES: [2H][13C]([2H])([2H])N1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.Br

Scopolamine-13C, d3 Hydrobromide is a stable isotope-labeled version of scopolamine hydrobromide, a tropane alkaloid with anticholinergic properties. It acts by blocking muscarinic receptors in the central and peripheral nervous systems, leading to its use in treating motion sickness, postoperative nausea, and certain muscle spasms. In pharmaceutical research, this labeled compound is essential for pharmacokinetic and metabolic studies using mass spectrometry, allowing for precise tracking and quantification in biological systems. It also serves as an internal standard in analytical chemistry for validating and calibrating analytical methods, ensuring accuracy and reliability in drug development and clinical research.