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CHEBI:189489 - Adb-fubinaca

ChEBI IDCHEBI:189489
ChEBI NameAdb-fubinaca
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H23FN4O2
Net Charge0
Average Mass382.439
Monoisotopic Mass382.18050
SMILESCC(C)(C)C(NC(=O)c1nn(Cc2ccc(F)cc2)c2ccccc12)C(N)=O
InChIInChI=1S/C21H23FN4O2/c1-21(2,3)18(19(23)27)24-20(28)17-15-6-4-5-7-16(15)26(25-17)12-13-8-10-14(22)11-9-13/h4-11,18H,12H2,1-3H3,(H2,23,27)(H,24,28)
InChIKeyZSSGCSINPVBLQD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
ChEBI Ontology
Outgoing Relation(s)
Adb-fubinaca (CHEBI:189489) is a aromatic amide (CHEBI:62733)
Adb-fubinaca (CHEBI:189489) is a indazoles (CHEBI:38769)
IUPAC Name 
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-[(4-luorophenyl)methyl]indazole-3-carboxamide
Manual XrefsDatabases
29763706ChemSpider
Registry NumbersSources
CAS:1445583-51-6ChemIDplus