Rupatadine-d4 Fumarate

• CAT Number: R056687
• CAS Number: 1795153-63-7
• Molecular Formula: C30H30ClN3O4
• Molecular Weight: 536.061
• Purity: ≥95%
• Synonyms: 8-Chloro-6,11-dihydro-11-[1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene-d4]- 5H-benzo[5,6]cyclohepta[1,2-b]pyridine (2E)-2-Butenedioate; Rupafin-d4 Fumarate
• Storage: -20°C
• IUPAC Name: (E)-but-2-enedioic acid;8-chloro-11-[2,2,6,6-tetradeuterio-1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene]-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine
• InChI: InChI=1S/C26H26ClN3.C4H4O4/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25;5-3(6)1-2-4(7)8/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/i11D2,12D2
• InChIKey: JYBLCDXVHQWMSU-IKABZUPCSA-N
• SMILES: [2H]C1(CC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC(N1CC5=CN=CC(=C5)C)([2H])[2H])[2H].C(=C/C(=O)O)\C(=O)O

Rupatadine-d4 Fumarate is a deuterated form of rupatadine fumarate, an antihistamine used to treat allergic conditions. The deuterium labeling, with four deuterium atoms, enhances its stability and accuracy in analytical techniques such as NMR and mass spectrometry. This compound is used in pharmaceutical research to study the drug’s metabolism, pharmacokinetics, and interactions. The deuterium atoms allow for detailed investigation of the drug’s behavior in the body, including its absorption, distribution, and elimination. It aids in optimizing formulations and improving the therapeutic efficacy of antihistamines by providing precise data on drug dynamics and interactions.