Bisacodyl-d13(Mixture of d12/d13)

• CAT Number: R045935
• CAS Number: NA
• Molecular Formula: C₂₂H₆D₁₃NO₄
• Molecular Weight: 374.47
• Purity: ≥95%
• Synonyms: 4,4’-(2-Pyridinylmethylene)bisphenol-d13 1,1’-Diacetate; 4,4’-(2-Pyridylmethylene)diphenol-d13 Diacetate; Bicol-d13; Bis(p-acetoxyphenyl)-2-pyridylmethane-d13; Brocalax-d13; Broxalax-d13; Dulcolax-d13; Perilax-d13; Stadalax-d13
• Storage: Store at -20°C
• IUPAC Name: [4-[(4-acetyloxy-2,3,5,6-tetradeuteriophenyl)-deuterio-(3,4,5,6-tetradeuteriopyridin-2-yl)methyl]-2,3,5,6-tetradeuteriophenyl] acetate
• InChI: InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3/i3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,22D
• InChIKey: KHOITXIGCFIULA-YJXZWZGQSA-N
• SMILES: [2H]C1=C(C(=NC(=C1[2H])C([2H])(C2=C(C(=C(C(=C2[2H])[2H])OC(=O)C)[2H])[2H])C3=C(C(=C(C(=C3[2H])[2H])OC(=O)C)[2H])[2H])[2H])[2H]

Bisacodyl-d13 is a deuterated version of bisacodyl, a stimulant laxative commonly used to treat constipation. In this compound, thirteen hydrogen atoms are replaced with deuterium, making it particularly useful in pharmacokinetic studies and mass spectrometry as an internal standard. The deuterium labeling allows for accurate tracking and quantification of bisacodyl in biological samples without interference from the non-labeled compound. Bisacodyl-d13 is essential in pharmaceutical chemistry for studying the metabolism, excretion, and overall pharmacodynamics of bisacodyl, aiding in drug development and therapeutic monitoring.