CHEBI:177393 - Izonsteride

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Izonsteride
ChEBI ID CHEBI:177393
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H26N2OS2
Net Charge 0
Average Mass 422.610
Monoisotopic Mass 422.14866
InChI InChI=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
InChIKey VMGWGDPZHXPFTC-HYBUGGRVSA-N
SMILES S(C1=CC2=C([C@@]3([C@](N(C(=O)CC3)C)(CC2)[H])C)C=C1)C=4SC=5C(N4)=C(CC)C=CC5
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
151061 ChemSpider
D04646 KEGG DRUG
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Registry Number Type Source
176975-26-1 CAS Registry Number ChemIDplus