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Concept information

Preferred term

spironolactone  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

alt_id

  • CHEBI:45692

charge

  • 0

formula

  • C24H32O4S

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

mass

  • 416.57448

monoisotopicmass

  • 416.20213

smiles

  • [H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]33CCC(=O)O3)[C@]1([H])[C@@H](CC1=CC(=O)CC[C@]21C)SC(C)=O

subset

  • 3_STAR

synonym EXACT

  • 7alpha-(acetylsulfanyl)-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone
  • Spironolactone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:9241

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