Responsive image

Common name


Rosuvastatin

IUPAC name


(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid

SMILES


CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)N(C)S(C)(=O)=O

Compound class


Hydroxymethylglutaryl-CoA Reductase Inhibitors; HMG CoA Reductase Inhibitors; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors;

Therapeutic area


Used as an adjunct to dietary therapy to treat primary hyperlipidemia (heterozygous familial and nonfamilial), mixed dyslipidemia and hypertriglyceridemia. Also indicated for homozygous familial hypercholesterolemia as an adjunct to other lipid-lowering therapies or when other such therapies are not available. Furthermore, it is used to slow the progression of atherosclerosis and for primary prevention of cardiovascular disease.

Common name


Rosuvastatin

IUPAC name


(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid

SMILES


CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)N(C)S(C)(=O)=O

INCHI


InChI=1S/C22H28FN3O6S/c1-13(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/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1

FORMULA


C22H28FN3O6S

Responsive image

Common name


Rosuvastatin

IUPAC name


(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid

Molecular weight


481.538

clogP


2.538

clogS


-3.765

HBond Acceptor


8

HBond Donor


3

Total Polar
Surface Area


140.92

Number of Rings


2

Rotatable Bond


10

Drug ID Common name Structure CAS SMILE Frequency
FDBF00004 acetic acid Responsive image CC(=O)O 0.0687
FDBF00041 ethanol Responsive image CCO 0.1474
FDBF00149 3-hydroxypropanoic acid Responsive image C(O)CC(=O)O 0.0038
FDBF00151 propane-1,3-diol Responsive image C(O)CCO 0.0045
FDBF00378 fluorobenzene Responsive image Fc1ccccc1 0.0237
FDBF00616 prop-2-en-1-ol Responsive image C=CCO 0.0072
FDBF00620 (2S)-but-3-en-2-ol Responsive image C=CC(O)C 0.0031
FDBF02492 4-isopropylpyrimidine Responsive image n1c(ccnc1)C(C)C 0.0003
FDBF02493 5-vinylpyrimidine Responsive image C(=C)c1cncnc1 0.0003
FDBF02499 (E,2S)-4-(4-isopropylpyrimidin-5-yl)but-3-en-2-ol Responsive image C(=CC(C)O)c1c(ncnc1)C(C)C 0.0003
20 , 3