Rifabutin-d7

• CAT Number: C000322
• CAS Number: 2747918-39-2
• Molecular Formula: C₄₆H₅₆D₇N₄O₁₁
• Molecular Weight: 854.04
• Purity: ≥95%
• Synonyms: 1′,4-Didehydro-1-deoxy-1,4-dihydro-5′-(2-methylpropyl)-1-oxorifamycin XIV-d7; Ansatipine-d7; Ansamycin-d7; Antibiotic LM 427-d7; LM 427-d7; Mycobutin-d7; Rifabutine-d7
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• Appearance: Dark Red to Black Solid
• Storage: -20°C, Inert atmosphere, Light sensitive
• IUPAC Name: [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21E)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-1'-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]spiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(32),2,4,9,19,21,24,26,30-nonaene-28,4'-piperidine]-13-yl] acetate
• InChI: InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,48,52-55H,16-19,21H2,1-11H3/b13-12+,20-15+,24-14+,47-36?/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1/i1D3,2D3,22D
• InChIKey: ZWBTYMGEBZUQTK-NJTKEUPPSA-N
• SMILES: [2H]C([2H])([2H])C([2H])(CN1CCC2(CC1)NC3=C4C5=C(C(=NC(=O)/C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]6(C(=O)C4=C(O6)C(=C5O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)C3=N2)O)C([2H])([2H])[2H]

Rifabutin-d7(CAT: C000322) is an isotopically labeled derivative of Rifabutin. Rifabutin is an antibiotic medication used in the treatment of various bacterial infections, including tuberculosis and Mycobacterium avium complex (MAC) infections in people with HIV/AIDS. Rifabutin-d7 likely serves as a stable isotope-labeled compound used in research, pharmacokinetic studies, or analytical chemistry. Isotope labeling provides a means to track and quantify the distribution and metabolism of the parent compound in biological samples, aiding in drug development and understanding the pharmacokinetics of Rifabutin.

Reference

O’Brien, R.J., et al.: Infect. Dis., 9, 519 (1987), Anand, R., et al.: Antimicrob. AG. Chemother., 32 (684 (1988), Skinner, M.H., et al.: Antimicrob. Agent Chemother., 33, 1237 (1989),