1.0 2016-05-22 05:25:05 UTC 2026-04-05 15:18:00 UTC Rosuvastatin calcium SmallMolecule Rosuvastatin calcium is an organic compound with the formula C44H54CaF2N6O12S2. Rosuvastatin calcium belongs to the pyrimidines and pyrimidine derivatives, a subclass of diazines within the organic compounds. With an average molecular weight of 1,001 g/mol, Rosuvastatin calcium is a heavy molecule. This organoheterocyclic compound has been found in or released from one recorded source: Building & Construction (Floors). Human Neurotoxin C44H54CaF2N6O12S2 1001.137 1000.283510167 calcium bis((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate) calcium bis((3R,5S,6E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethanesulfonamido)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate) 147098-20-2 [Ca++].[H]\C(=C(\[H])[C@@]([H])(O)C[C@@]([H])(O)CC([O-])=O)C1=C(N=C(N=C1C1=CC=C(F)C=C1)N(C)S(C)(=O)=O)C(C)C.[H]\C(=C(\[H])[C@@]([H])(O)C[C@@]([H])(O)CC([O-])=O)C1=C(N=C(N=C1C1=CC=C(F)C=C1)N(C)S(C)(=O)=O)C(C)C InChI=1S/2C22H28FN3O6S.Ca/c2*1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32;/h2*5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;;+2/p-2/b2*10-9+; LALFOYNTGMUKGG-JGMJEEPBSA-L Organic compounds Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Phenylpyrimidines Aminosulfonyl compounds Aryl fluorides Azacyclic compounds Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acid salts Carboxylic acids Fluorobenzenes Halogenated fatty acids Heteroaromatic compounds Heterocyclic fatty acids Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Medium-chain hydroxy acids and derivatives Monocarboxylic acids and derivatives Organic calcium salts Organic metal halides Organic oxides Organic sulfonamides Organic zwitterions Organofluorides Organonitrogen compounds Organosulfonamides Secondary alcohols Unsaturated fatty acids 4-phenylpyrimidine Alcohol Aminosulfonyl compound Aromatic heteromonocyclic compound Aryl fluoride Aryl halide Azacycle Benzenoid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid salt Fatty acid Fatty acyl Fluorobenzene Halobenzene Halogenated fatty acid Heteroaromatic compound Heterocyclic fatty acid Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid Medium-chain fatty acid Medium-chain hydroxy acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic calcium salt Organic metal halide Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic sulfonic acid amide Organic sulfonic acid or derivatives Organic zwitterion Organofluoride Organohalogen compound Organonitrogen compound Organooxygen compound Organosulfonic acid amide Organosulfonic acid or derivatives Organosulfur compound Secondary alcohol Sulfonyl Unsaturated fatty acid Detected and Not Quantified logp 4.19 ALOGPS logs -5.03 ALOGPS solubility 9.36e-03 g/l ALOGPS logp 1.92 ChemAxon pka_strongest_acidic 4 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac calcium bis((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate) ChemAxon average_mass 1001.137 ChemAxon mono_mass 1000.283510167 ChemAxon smiles [Ca++].[H]\C(=C(\[H])[C@@]([H])(O)C[C@@]([H])(O)CC([O-])=O)C1=C(N=C(N=C1C1=CC=C(F)C=C1)N(C)S(C)(=O)=O)C(C)C.[H]\C(=C(\[H])[C@@]([H])(O)C[C@@]([H])(O)CC([O-])=O)C1=C(N=C(N=C1C1=CC=C(F)C=C1)N(C)S(C)(=O)=O)C(C)C ChemAxon formula C44H54CaF2N6O12S2 ChemAxon inchi InChI=1S/2C22H28FN3O6S.Ca/c2*1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32;/h2*5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;;+2/p-2/b2*10-9+; ChemAxon inchikey LALFOYNTGMUKGG-JGMJEEPBSA-L ChemAxon polar_surface_area 143.75 ChemAxon refractivity 132.28 ChemAxon polarizability 47.97 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 8 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227f01fe0> 5282455