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CHEBI:177393 - Izonsteride

ChEBI IDCHEBI:177393
ChEBI NameIzonsteride
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26N2OS2
Net Charge0
Average Mass422.619
Monoisotopic Mass422.14866
SMILES[H][C@@]12CCc3cc(Sc4nc5c(CC)cccc5s4)ccc3[C@@]1(C)CCC(=O)N2C
InChIInChI=1S/C24H26N2OS2/c1-4-15-6-5-7-19-22(15)25-23(29-19)28-17-9-10-18-16(14-17)8-11-20-24(18,2)13-12-21(27)26(20)3/h5-7,9-10,14,20H,4,8,11-13H2,1-3H3/t20-,24-/m1/s1
InChIKeyVMGWGDPZHXPFTC-HYBUGGRVSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Izonsteride (CHEBI:177393) is a organic heterotricyclic compound (CHEBI:26979)
Izonsteride (CHEBI:177393) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
(4aR,10bR)-8-[(4-ethyl-1,3-benzothiazol-2-yl)sulanyl]-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[]quinolin-3-one
Manual XrefsDatabases
151061ChemSpider
D04646KEGG DRUG
Registry NumbersSources
CAS:176975-26-1ChemIDplus