chempirical

Rosuvastatin ethyl ester

C24H32FN3O6SCAS 851443-04-4509.59 g/mol

Open in Covalent MOL file
OONNNSOOFHOHO
AlcoholAlkeneAryl halideEsterSulfonamide

Properties

Molecular formula
C24H32FN3O6S
Molar mass
509.59 g/mol
Exact mass
509.1996 Da
logP
2.88Crippen estimate
Polar surface area
129.9 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
11
Stereocentres
R, Sin SMILES atom order
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
851443-04-4
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
InChIKey
MSHKEMUMXTZIIT-MCBHFWOFSA-N
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

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Work with Rosuvastatin ethyl ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Rosuvastatin methyl ester147118-40-984 % similar 1,1-Dimethylethyl (3R,5S,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoate355806-00-781 % similar (3S,5R)-Rosuvastatin1242184-42-478 % similar Rosuvastatin287714-41-478 % similar Rosuvastatin sodium147098-18-874 % similar Rosuvastatin calcium147098-20-274 % similar 1,1-Dimethylethyl (4R,6S)-6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate289042-12-258 % similar N-[4-(4-Fluorophenyl)-5-formyl-6-(1-methylethyl)-2-pyrimidinyl]-N-methylmethanesulfonamide147118-37-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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