| Description |
2-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester-[d5] is the labelled analogue of 2-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester, which is a metabolite of Atorvastatin. |
| Synonyms |
2-Benzyloxy Atorvastatin-d5 Acetonide tert-Butyl Ester |
| IUPAC Name |
tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-4-[(2-phenylmethoxyphenyl)carbamoyl]-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate |
| Related CAS |
265989-39-7 (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=C5OCC6=CC=CC=C6 |
| InChI |
InChI=1S/C47H53FN2O6/c1-31(2)43-42(45(52)49-38-20-14-15-21-39(38)53-30-32-16-10-8-11-17-32)41(33-18-12-9-13-19-33)44(34-22-24-35(48)25-23-34)50(43)27-26-36-28-37(55-47(6,7)54-36)29-40(51)56-46(3,4)5/h8-25,31,36-37H,26-30H2,1-7H3,(H,49,52)/t36-,37-/m1/s1/i9D,12D,13D,18D,19D |
| InChI Key |
VSSGOSXIVDYLJF-OIEQPYKMSA-N |
| Boiling Point |
765.9±60.0 °C at 760 mmHg |
| Purity |
98% atom D |
| Density |
1.2±0.1 g/cm3 |
| Solubility |
Soluble in Acetone, Chloroform, Dichloromethane, Ethyl Acetate |
| Appearance |
Yellow Foamy Solid |
| Application |
A deuterated intermediate of the metabolite of Atorvastin, a selective, competitive HMG-CoA reductase inhibitor. Atorvastin is the only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglycerides in patients with |
| Storage |
Store at -20°C |
![2-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester-[d5]](https://resource.bocsci.com/structure/265989-41-1.gif)
