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Rosuvastatin Ethyl Ester

CAT: 0572-TRC-R700723-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R700723-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
851443-04-4
Synonyms
(3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoic Acid Ethyl Ester; Rosuvastatin Ethyl Ester
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CCOC(=O)C[C@H](O)C[C@H](O)\C=C\c1c(nc(nc1c2ccc(F)cc2)N(C)S(=O)(=O)C)C(C)C
Molecular Formula
C24 H32 F N3 O6 S
Molecular Weight
509.59
InChI
InChI=1S/C24H32FN3O6S/c1-6-34-21(31)14-19(30)13-18(29)11-12-20-22(15(2)3)26-24(28(4)35(5,32)33)27-23(20)16-7-9-17(25)10-8-16/h7-12,15,18-19,29-30H,6,13-14H2,1-5H3/b12-11+/t18-,19-/m1/s1
Additionnal Information
IUPAC name: ethyl (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Rosuvastatin ethyl ester
CAS Number851443-04-4
PubChem CID11295164
IUPAC Nameethyl (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
Molecular FormulaC24H32FN3O6S
Molecular Weight509.6
XLogP2.3
Topological Polar Surface Area138
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count35
Formal Charge0
Complexity798
SMILES
CCOC(=O)C[C@@H](C[C@@H](/C=C/C1=C(N=C(N=C1C(C)C)N(C)S(=O)(=O)C)C2=CC=C(C=C2)F)O)O
InChI
InChI=1S/C24H32FN3O6S/c1-6-34-21(31)14-19(30)13-18(29)11-12-20-22(15(2)3)26-24(28(4)35(5,32)33)27-23(20)16-7-9-17(25)10-8-16/h7-12,15,18-19,29-30H,6,13-14H2,1-5H3/b12-11+/t18-,19-/m1/s1
InChIKey
MSHKEMUMXTZIIT-MCBHFWOFSA-N
Chemical Structure
2D Structure
2D structure of Rosuvastatin ethyl ester
CAS: 851443-04-4
CID: 11295164
Formula: C24H32FN3O6S
MW: 509.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight509.6
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass509.19958508
Monoisotopic Mass509.19958508
Topological Polar Surface Area138 Ų
Heavy Atom Count35
Formal Charge0
Complexity798
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

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