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Application Area
Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

11-Desmethyl Rifaximin-[d4]

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General Information
Catalog: BLP-001780
CAS: 1316302-12-1
Molecular Formula: C42H45D4N3O11
Molecular Weight: 775.88
Chemical Structure
11-Desmethyl Rifaximin-[d4]
Synonyms 11-Desmethyl Rifaximin-d4; 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
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
Related CAS 80621-86-9 (unlabelled with no stereochemistry)
Isomeric 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]
Canonical SMILES CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC=CC6=N5)O)C
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
InChI Key AANGSOOSBGADDI-FZFXTIDLSA-N
Purity ≥98%
Storage Store at 2-8°C
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