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CHEBI:177683 - nivazol

ChEBI IDCHEBI:177683
ChEBI Namenivazol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H31FN2O
Net Charge0
Average Mass430.567
Monoisotopic Mass430.24204
SMILES[H][C@@]12CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@@]1(O)C#C
InChIInChI=1S/C28H31FN2O/c1-4-28(32)14-12-24-22-10-5-19-15-25-18(16-26(19,2)23(22)11-13-27(24,28)3)17-30-31(25)21-8-6-20(29)7-9-21/h1,6-9,15,17,22-24,32H,5,10-14,16H2,2-3H3/t22-,23+,24+,26+,27+,28+/m1/s1
InChIKeyZQLOAGFNRKBEAJ-BDPSOKNUSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
nivazol (CHEBI:177683) has parent hydride estrane (CHEBI:23966)
nivazol (CHEBI:177683) is a steroid (CHEBI:35341)
IUPAC Name 
(1S,2R,13R,14S,17R,18S)-17-ethynyl-7-(4-luorophenyl)-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol
Manual XrefsDatabases
D05194KEGG DRUG
8086226ChemSpider
Registry NumbersSources
CAS:24358-76-7ChemIDplus