Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.
In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.
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.
Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.
General Information |
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Catalog: BLP-012215 |
CAS: 265989-34-2 |
Molecular Formula: C40H42D5FN2O5 |
Molecular Weight: 659.84 |
Chemical Structure |
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Description | Atorvastatin Acetonide Tert-Butyl Ester-[d5] is the labelled analogue of Atorvastatin Acetonide Tert-Butyl Ester, which is the intermediate of Atorvastatin. |
Synonyms | Atorvastatin Acetonide Tert-Butyl Ester-d5 |
IUPAC Name | tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-4-[(2,3,4,5,6-pentadeuteriophenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate |
Related CAS | 125971-95-1 (unlabelled) |
Canonical SMILES | CC(C)C1=C(C(=C(N1CCC2CC(OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5 |
InChI | InChI=1S/C40H47FN2O5/c1-26(2)36-35(38(45)42-30-16-12-9-13-17-30)34(27-14-10-8-11-15-27)37(28-18-20-29(41)21-19-28)43(36)23-22-31-24-32(47-40(6,7)46-31)25-33(44)48-39(3,4)5/h8-21,26,31-32H,22-25H2,1-7H3,(H,42,45)/t31-,32-/m1/s1/i9D,12D,13D,16D,17D |
InChI Key | NPPZOMYSGNZDKY-NQCSUXNXSA-N |
Boiling Point | 678.0±55.0 °C at 760 mmHg |
Purity | 95% atom D |
Density | 1.1±0.1 g/cm3 |
Solubility | Soluble in Acetone, Chloroform, Dichloromethane, Ethyl Acetate |
Appearance | Light-Yellow Foamy Solid |
Application | An deuterated intermediate of deuterated Atorvastatin, a selective, competitive HMG-CoA reductase inhibitor. The only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglycerides in patients with hypercholesterolem |
Storage | Store at -20°C |
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