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Rosuvastatin EP Impurity N

CAT: 1299-RM-R192215-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R192215-01Size:10 mg
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CAS Number
2290571-51-4
Synonyms
(S,2E,6E) -7- (4- (4-fluorophenyl) -6-isopropyl-2- (N-methylmethylsulfonamido) pyrimidin-5-yl) -5-hydroxyhepta-2,6-dienoic acid
Molecular Formula
C22H26FN3O5S
Molecular Weight
463.52
Target Alternative Name
Rosuvastatin
Product Name Synonym
(S,2E,6E) -7- (4- (4-fluorophenyl) -6-isopropyl-2- (N-methylmethylsulfonamido) pyrimidin-5-yl) -5-hydroxyhepta-2,6-dienoic acid

Chemical Information

2,3-Dehydro-3-Deshydroxy-(2E)-Rosuvastatin
CAS Number2290571-51-4
PubChem CID95198804
IUPAC Name(2E,5S,6E)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-5-hydroxyhepta-2,6-dienoic acid
Molecular FormulaC22H26FN3O5S
Molecular Weight463.5
XLogP2.7
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity775
SMILES
CC(C)C1=NC(=NC(=C1/C=C/[C@H](C/C=C/C(=O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
InChI
InChI=1S/C22H26FN3O5S/c1-14(2)20-18(13-12-17(27)6-5-7-19(28)29)21(15-8-10-16(23)11-9-15)25-22(24-20)26(3)32(4,30)31/h5,7-14,17,27H,6H2,1-4H3,(H,28,29)/b7-5+,13-12+/t17-/m0/s1
InChIKey
NZWJKTHFNLHUJO-OHBDQUETSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dehydro-3-Deshydroxy-(2E)-Rosuvastatin
CAS: 2290571-51-4
CID: 95198804
Formula: C22H26FN3O5S
MW: 463.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.5
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass463.15772027
Monoisotopic Mass463.15772027
Topological Polar Surface Area129 Ų
Heavy Atom Count32
Formal Charge0
Complexity775
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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