N-Des(methylsulfonyl)-N-[[2-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]ethenyl]sulfonyl]rosuvastatin Calcium
Product Code
MM0936.25-0025
EP Description
Rosuvastatin Calcium Impurity J as Calcium Salt
Product Format
Neat
Molecular Formula
2 C38 H43 F2 N6 O8 S2 . Ca
Molecular Weight
1667.899
API Family
Rosuvastatin CalciumProduct Categories
Mikromol, Statins and related drugs, Cardiac drugs and beta blockers, Impurity Reference Materials
Product Type
ImpurityDrug Type
Antihyperlipidemics
Documentation
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Product Information
Analyte Data
Analyte Name
N-Des(methylsulfonyl)-N-[(2-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]ethenyl)sulfonyl]rosuvastatin Calcium
Molecular Formula
2 C38 H43 F2 N6 O8 S2 . Ca
Molecular Weight
1667.899
Accurate Mass
1666.473
SMILES
[Ca+2].CC(C)c1nc(nc(c1\C=C\[C@@H](O)C[C@@H](O)CC(=O)[O-])c2ccc(F)cc2)N(C)S(=O)(=O)\C=C\c3c(nc(nc3c4ccc(F)cc4)N(C)S(=O)(=O)C)C(C)C.CC(C)c5nc(nc(c5\C=C\[C@@H](O)C[C@@H](O)CC(=O)[O-])c6ccc(F)cc6)N(C)S(=O)(=O)\C=C\c7c(nc(nc7c8ccc(F)cc8)N(C)S(=O)(=O)C)C(C)C
InChI
/t2*28-,29-, /h2*8-19,22-23,28-29,47-48H,20-21H2,1-7H3,(H,49,50), /q, InChI=1S/2C38H44F2N6O8S2.Ca/c2*1-22(2)33-30(17-16-28(47)20-29(48)21-32(49)50)35(24-8-12-26(39)13-9-24)44-38(42-33)46(6)56(53,54)19-18-31-34(23(3)4)41-37(45(5)55(7,51)52)43-36(31)25-10-14-27(40)15-11-25, +2/p-2/b2*17-16+,19-18+, /m11./s1,
IUPAC
calcium;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[[(E)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]ethenyl]sulfonyl-methylamino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
Product Data
Storage Temperature
Fridge Temperature Luckenwalde (EP Definition)
Shipping Temperature
Room Temperature
Country of Origin
GERMANY
Product Format
Neat
Impurity Type
By-Product
API Family
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