(3S,5S)-7-[2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic Acid Calcium Salt (ent-Atorvastatin Calcium Salt)
Product Code
MM0400.28-0025
CAS Number
EP Description
Atorvastatin Calcium Trihydrate Impurity E as Calcioum Salt
USP Description
Atorvastatin Related Compound E as Hemicalcium Salt
Product Format
Neat
Molecular Formula
2 C33 H34 F N2 O5 . Ca
Molecular Weight
1155.34
API Family
Atorvastatin Calcium TrihydrateProduct Categories
Cardiac drugs and beta blockers, Impurity Reference Materials , Statins and related drugs, Mikromol
Product Type
ImpurityAlternate CAS Number
Drug Type
Antihyperlipidemics
Documentation
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Product Information
Product Data
Analyte Name
ent-Atorvastatin Calcium Salt
CAS Number
1105067-88-6
Molecular Formula
2 C33 H34 F N2 O5 . Ca
Molecular Weight
1155.34
Accurate Mass
1154.4529
SMILES
[Ca+2].CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CC[C@H](O)C[C@H](O)CC(=O)[O-].CC(C)c5c(C(=O)Nc6ccccc6)c(c7ccccc7)c(c8ccc(F)cc8)n5CC[C@H](O)C[C@H](O)CC(=O)[O-]
InChI
/m00./s1, /q, 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), +2/p-2/t2*26-,27-
IUPAC
calcium;(3S,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
Alternate CAS Number
Free acid: 501121-34-2
Storage & Transport Information
Storage Temperature
+5°C
Shipping Temperature
Room Temperature
Country of Origin
GERMANY
Product Attributes
Product Type
Impurity
Product Format
Neat
Impurity Type
By-Product
API Family
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