Compound Summary
Compound Information
pravastatin
Compound Name: | pravastatin |
Compound CID: | 54687 |
Synonyms: | 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 |
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 |
InChIKey: | TUZYXOIXSAXUGO-PZAWKZKUSA-N |
Canonical Smiles: | CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O |
Isomeric Smiles: | CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O |
Molecular Weight: | 424.5 |
Molecular Formula: | C23H36O7 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
pravastatin
Molecular Weight: | 424.5 |
Molecular Formula: | C23H36O7 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 11 |
Heavy Atom Count: | 30 |
Complexity: | 656 |
Synonyms
pravastatin
Experimental Data
pravastatin
Experimental Data Visualization
pravastatin
Statistics Data
pravastatin
Statistics Data Visualization
pravastatin
