| Description |
4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester-[d5] is the labelled analogue of 4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester, which is a metabolite of Atorvastatin. |
| Synonyms |
4-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-[(4-phenylmethoxyphenyl)carbamoyl]-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate |
| Related CAS |
163217-68-3 (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=C(C=C5)OCC6=CC=CC=C6 |
| InChI |
InChI=1S/C47H53FN2O6/c1-31(2)43-42(45(52)49-36-22-24-37(25-23-36)53-30-32-14-10-8-11-15-32)41(33-16-12-9-13-17-33)44(34-18-20-35(48)21-19-34)50(43)27-26-38-28-39(55-47(6,7)54-38)29-40(51)56-46(3,4)5/h8-25,31,38-39H,26-30H2,1-7H3,(H,49,52)/t38-,39-/m1/s1/i9D,12D,13D,16D,17D |
| InChI Key |
LKMXIMMZUBCVBP-WSIHKHEXSA-N |
| Boiling Point |
767.4±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 |
Light-Pink 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 |
![4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester-[d5]](https://resource.bocsci.com/structure/265989-37-5.gif)
