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Application Area
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.

Simvastatin hydroxy acid ammonium salt-[d6]

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General Information
Catalog: BLP-004239
Molecular Formula: C25H37D6NO6
Molecular Weight: 459.65
Chemical Structure
Simvastatin hydroxy acid ammonium salt-[d6]
Description Simvastatin hydroxy acid ammonium salt-[d6] is a deuterated metabolite of Simvastin. Simvastatin is a competitive inhibitor of HMG-CoA reductase with Ki of 0.1-0.2 nM.
Synonyms (βR,δR,1S,2S,6R,8S,8aR)-8-[2,2-(Dimethyl-d6)-1-oxobutoxy]-1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoic Acid Ammonium Salt; Simvastatin-d6 Acid Ammonium Salt
IUPAC Name azanium;(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[2,2-bis(trideuteriomethyl)butanoyloxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
Related CAS 139893-43-9 (unlabelled)
Canonical SMILES CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)[O-])O)O)C.[NH4+]
InChI InChI=1S/C25H40O6.H3N/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);1H3/t15-,16-,18+,19+,20-,21-,23-;/m0./s1/i4D3,5D3;
InChI Key FFPDWNBTEIXJJF-UUPPRYLMSA-N
Melting Point 150-153°C
Purity >98%
Solubility Soluble in DMSO, Ethanol, Methanol (Slightly), Water (Slightly)
Appearance White to Pale Orange Solid
Storage Store at-20°C
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