
IUPAC name
(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
SMILES
[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC
Compound class
Anticholesteremic Agents; 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 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein;
Therapeutic area
For the treatment of hypercholesterolemia and to reduce the risk of cardiovascular disease.
Common name
Pravastatin
IUPAC name
(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
SMILES
[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC
INCHI
InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
FORMULA
C23H36O7

Common name
Pravastatin
IUPAC name
(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
Molecular weight
424.528
clogP
2.154
clogS
-1.356
HBond Acceptor
7
HBond Donor
4
Total Polar Surface Area
124.29
Number of Rings
2
Rotatable Bond
11
Drug ID | Common name | Structure CAS | SMILE | Frequency |
---|---|---|---|---|
FDBF00004 | acetic acid |
![]() |
CC(=O)O | 0.0687 |
FDBF00018 | propan-1-ol |
![]() |
C(O)CC | 0.0330 |
FDBF00041 | ethanol |
![]() |
CCO | 0.1474 |
FDBF00067 | butane |
![]() |
CCCC | 0.0680 |
FDBF00147 | [(1S,3S,7S,8S,8aR)-3-hydroxy-7,8-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] formate |
![]() |
CC1C2C(=CC(CC2OC=O)O)C=CC1C | 0.0003 |
FDBF00148 | [(1S,3S,7R,8aR)-3-hydroxy-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] propanoate |
![]() |
C(C)C(=O)OC1C2CC(C=CC2=CC(C1)O)C | 0.0003 |
FDBF00149 | 3-hydroxypropanoic acid |
![]() |
C(O)CC(=O)O | 0.0038 |
FDBF00151 | propane-1,3-diol |
![]() |
C(O)CCO | 0.0045 |
FDBF00154 | (2S)-butan-2-ol |
![]() |
CC(O)CC | 0.0034 |
FDBF00157 | [(1S,3S,7R,8aR)-3-hydroxy-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] formate |
![]() |
O(C=O)C1C2CC(C=CC2=CC(C1)O)C | 0.0003 |