Compound Summary
spironolactone
Compound Information
spironolactone
Compound Name: | spironolactone |
Compound CID: | 5833 |
Synonyms: | spironolactone |
Iupac Name: | S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate |
InChI: | InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1 |
InChIKey: | LXMSZDCAJNLERA-ZHYRCANASA-N |
Canonical Smiles: | CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C |
Isomeric Smiles: | CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C |
Molecular Weight: | 416.6 |
Molecular Formula: | C24H32O4S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
spironolactone
Molecular Weight: | 416.6 |
Molecular Formula: | C24H32O4S |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 29 |
Complexity: | 818 |
Synonyms
spironolactone
Experimental Data
spironolactone
Experimental Data Visualization
spironolactone
Statistics Data
spironolactone
Statistics Data Visualization
spironolactone
