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Rosuvastatin methyl ester

CAT: 0024-sc-472778Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-472778Size:100 mg
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CAS Number
147118-40-9

Chemical Information

Rosuvastatin methyl ester
CAS Number147118-40-9
PubChem CID25183331
IUPAC Namemethyl (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
Molecular FormulaC23H30FN3O6S
Molecular Weight495.6
XLogP2
Topological Polar Surface Area138
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count34
Formal Charge0
Complexity782
SMILES
CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)OC)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
InChI
InChI=1S/C23H30FN3O6S/c1-14(2)21-19(11-10-17(28)12-18(29)13-20(30)33-4)22(15-6-8-16(24)9-7-15)26-23(25-21)27(3)34(5,31)32/h6-11,14,17-18,28-29H,12-13H2,1-5H3/b11-10+/t17-,18-/m1/s1
InChIKey
SUTPUCLJAVPJRS-NDZBKKTDSA-N
Chemical Structure
2D Structure
2D structure of Rosuvastatin methyl ester
CAS: 147118-40-9
CID: 25183331
Formula: C23H30FN3O6S
MW: 495.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.6
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass495.18393502
Monoisotopic Mass495.18393502
Topological Polar Surface Area138 Ų
Heavy Atom Count34
Formal Charge0
Complexity782
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-R700565-100MGRosuvastatin Methyl Ester
437437(5R) -Rosuvastatin Methyl Ester
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AR-R11462-01(3S,5S) -Rosuvastatin Methyl Ester
RM-R192223-01Rosuvastatin Anhydro Acid Methyl Ester
AR-R11515-01(3R,5R) -Rosuvastatin Methyl Ester
AR-R09959-01(3S,5R) -Rosuvastatin Methyl Ester
RM-R192225-01Rosuvastatin (3R,5R) -Isomer Methyl Ester
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