Atorvastatin-d5 (calcium salt)

Atorvastatin-d5 is intended for use as an internal standard for the quantification of atorvastatin (Cay-10493) by GC- or LC-MS. Atorvastatin is an inhibitor of HMG-CoA reductase, the rate-limiting enzyme in the mevalonate pathway of cholesterol synthesis, that has IC50 values of 73, 102, and 0.6 nM for HepG2 cells, human fibroblasts, and rat hepatocytes, respectively. Formulations containing atorvastatin have been used in the treatment of hypercholesterolemia and certain dyslipidemias.Formal Name: 2-(4-fluorophenyl)-betaR,deltaR-dihydroxy-5-(1-methylethyl)-3-(phenyl-d5)-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid, hemicalcium salt. CAS Number: 222412-82-0. Molecular Formula: C33H29D5FN2O5 . 1/2Ca. Formula Weight: 562.7. Purity: >99% deuterated forms (d1 -d3). Formulation: (Request formulation change), A solid. Solubility: DMF: 25 mg/ml, DMSO: 15 mg/ml, Ethanol: 0.50 mg/ml. SMILES: O=C(C1=C(C(C)C)N(CC[C@@H](O)C[C@@H](O)CC([O-])=O)C(C2=CC=C(F)C=C2)=C1C3=C([2H])C([2H])=C([2H])C([2H])=C3[2H])NC4=CC=CC=C4.[Ca+2]. InChi Code: InChI=1S/2C33H35FN2O5.Ca/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40,/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40),/q,,+2/p-2/t2*26-,27-,/m11./s1/i2*3D,5D,6D,9D,10D,. InChi Key: FQCKMBLVYCEXJB-RKBFYDEKSA-L.