11-Desmethyl Rifaximin-d4

For research use only. Not for therapeutic Use.

  • CAT Number: R047910
  • CAS Number: 1316302-12-1
  • Molecular Formula: C42H49N3O11
  • Molecular Weight: 775.89
  • Purity: ≥95%
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11-Desmethyl Rifaximin-d4(Cat No.:R047910) is a deuterated form of 11-Desmethyl Rifaximin, where four hydrogen atoms are replaced with deuterium. This isotopic labeling enhances the compound’s stability and makes it highly suitable for detailed pharmacokinetic and metabolic studies. 11-Desmethyl Rifaximin is a key metabolite of Rifaximin, an antibiotic used primarily to treat traveler’s diarrhea and irritable bowel syndrome. The deuterated version facilitates accurate measurement of the metabolite’s distribution and elimination, providing critical insights into the drug’s metabolic pathways and aiding in optimizing therapeutic strategies for better management of gastrointestinal conditions.


Catalog Number R047910
CAS Number 1316302-12-1
Synonyms

4-Deoxy-pyridol[1’,2’-1,2]imidazo[5,4-c]rifamycin SV-d4; 11-Desmethyl Rifamycin L 105-d4; 11-Desmethyl Rifaxidin-d4; 11-Desmethyl Fatroximin-d4; 11-Desmethyl Normix-d4; 11-Desmethyl Rifacol-d4; 11-Desmethyl Xifaxan-d4;

Molecular Formula C42H49N3O11
Purity ≥95%
Storage -20°C
IUPAC Name [(7S,9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-28,29,30,31-tetradeuterio-2,15,17,36-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl] acetate
InChI InChI=1S/C42H49N3O11/c1-19-13-12-14-20(2)41(52)44-32-33-31(43-27-15-10-11-17-45(27)33)28-29(37(32)50)36(49)24(6)39-30(28)40(51)42(8,56-39)54-18-16-26(53-9)21(3)38(55-25(7)46)23(5)35(48)22(4)34(19)47/h10-19,21-23,26,34-35,38,47-50H,1-9H3,(H,44,52)/b13-12+,18-16+,20-14-/t19-,21+,22+,23+,26-,34-,35+,38-,42-/m0/s1/i10D,11D,15D,17D
InChIKey AANGSOOSBGADDI-FZFXTIDLSA-N
SMILES [2H]C1=C(C2=NC3=C(N2C(=C1[2H])[2H])C4=C(C5=C3C6=C(C(=C5O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)N4)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O)[2H]

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