Atorvastatin-d5 Calcium Salt
Product Code
TRC-A791754
CAS Number
Product Format
Neat
Molecular Formula
2 C33 2H5 H29 F N2 O5 . Ca
Molecular Weight
1165.40
Product Categories
TRC, Cardiac drugs and beta blockers, Enzyme inhibitors, Cardiac drugs and beta blockers, API Reference Standards & Research Materials, Cardiac drugs and beta blockers, Stable isotopes, Stable Isotope Labelled Analytical Standards
Unlabelled CAS Number
Drug Type
Cardiac Drugs
Documentation
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Product Information
Chemical Data
Analyte Name
Atorvastatin 3-phenyl-d5 calcium salt
CAS Number
222412-82-0
Molecular Formula
2 C33 2H5 H29 F N2 O5 . Ca
Molecular Weight
1165.40
Accurate Mass
1164.5157
SMILES
[Ca+2].[2H]c1c([2H])c([2H])c(c([2H])c1[2H])c2c(C(=O)Nc3ccccc3)c(C(C)C)n(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2c4ccc(F)cc4.[2H]c5c([2H])c([2H])c(c([2H])c5[2H])c6c(C(=O)Nc7ccccc7)c(C(C)C)n(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c6c8ccc(F)cc8
InChI
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;
IUPAC
calcium;(3R,5R)-7-[2-(4-fluorophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
Unlabelled CAS Number
134523-03-8
SIL Type
Deuterium
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
API; Stable Isotope Labelled
Product Format
Neat
API Family
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