Substance
- Substance Name: simvastatin
- Formula: C25H38O5
- Molecular Weight: 418.6 g/mol
- Identifiers:
- casrn: 79902-63-9
- pubchemId: 54454
- iupacname: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
- inchi: InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
- inchikey: RYMZZMVNJRMUDD-HGQWONQESA-N
- csmiles: CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C
- ismiles: CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C
- wikidataId: Q670131
- chemspiderId: 49179
- dsstoxcmpId: DTXCID103581
- chemblId: CHEMBL1064
- ecnumber: 616-751-8
simvastatin
Systems and Datasets
- dichloromethane + carbon dioxide + simvastatin (Datasets: 1)
- Dataset 1 in paper 10.1021/je700019h (Dataseries: 4, Datapoints: 76, Quantity: Vapor pressure)
- (+)-Simvastatin (Datasets: 4)
- Dataset 1 in paper 10.1016/j.fluid.2009.03.006 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 2 in paper 10.1016/j.fluid.2009.03.006 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 1 in paper 10.1016/j.fluid.2015.07.055 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 2 in paper 10.1016/j.fluid.2015.07.055 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- methyl ethanoate + (+)-Simvastatin (Datasets: 2)
- Dataset 3 in paper 10.1016/j.fluid.2009.03.006 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- Dataset 3 in paper 10.1016/j.fluid.2015.07.055 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- ethyl acetate + (+)-Simvastatin (Datasets: 2)
- Dataset 4 in paper 10.1016/j.fluid.2009.03.006 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- Dataset 4 in paper 10.1016/j.fluid.2015.07.055 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 1-methylethyl ethanoate + (+)-Simvastatin (Datasets: 1)
- Dataset 5 in paper 10.1016/j.fluid.2009.03.006 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- butyl ethanoate + (+)-Simvastatin (Datasets: 2)
- Dataset 6 in paper 10.1016/j.fluid.2009.03.006 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- Dataset 6 in paper 10.1016/j.fluid.2015.07.055 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 2-methylpropyl ethanoate + (+)-Simvastatin (Datasets: 2)
- Dataset 7 in paper 10.1016/j.fluid.2009.03.006 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- Dataset 7 in paper 10.1016/j.fluid.2015.07.055 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 1-methylpropyl ethanoate + (+)-Simvastatin (Datasets: 1)
- Dataset 8 in paper 10.1016/j.fluid.2009.03.006 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- 1,1-dimethylethyl ethanoate + (+)-Simvastatin (Datasets: 1)
- Dataset 9 in paper 10.1016/j.fluid.2009.03.006 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- ethanol + (+)-Simvastatin (Datasets: 1)
- Dataset 10 in paper 10.1016/j.fluid.2009.03.006 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- propan-1-ol + (+)-Simvastatin (Datasets: 1)
- Dataset 11 in paper 10.1016/j.fluid.2009.03.006 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- butan-1-ol + (+)-Simvastatin (Datasets: 1)
- Dataset 12 in paper 10.1016/j.fluid.2009.03.006 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- butan-2-ol + (+)-Simvastatin (Datasets: 1)
- Dataset 13 in paper 10.1016/j.fluid.2009.03.006 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- pentan-1-ol + (+)-Simvastatin (Datasets: 1)
- Dataset 14 in paper 10.1016/j.fluid.2009.03.006 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- hexan-1-ol + (+)-Simvastatin (Datasets: 1)
- Dataset 15 in paper 10.1016/j.fluid.2009.03.006 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- octan-1-ol + (+)-Simvastatin (Datasets: 1)
- Dataset 16 in paper 10.1016/j.fluid.2009.03.006 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- propyl ethanoate + (+)-Simvastatin (Datasets: 2)
- Dataset 17 in paper 10.1016/j.fluid.2009.03.006 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- Dataset 5 in paper 10.1016/j.fluid.2015.07.055 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 2-methylpropyl ethanoate + heptane + (+)-Simvastatin (Datasets: 1)
- Dataset 8 in paper 10.1016/j.fluid.2015.07.055 (Dataseries: 7, Datapoints: 84, Quantity: Mole fraction)