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CHEBI:135321 - isomethadone

ChEBI IDCHEBI:135321
ChEBI Nameisomethadone
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC21H27NO
Net Charge0
Average Mass309.453
Monoisotopic Mass309.20926
SMILESCCC(=O)C(c1ccccc1)(c1ccccc1)C(C)CN(C)C
InChIInChI=1S/C21H27NO/c1-5-20(23)21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
InChIKeyIFKPLJWIEQBPGG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
isomethadone (CHEBI:135321) is a diarylmethane (CHEBI:51614)
Synonyms  Source
isoamidoneDrugCentral
isadanoneDrugCentral
isometadoneDrugCentral
Manual XrefsDatabases
1495DrugCentral
Registry NumbersSources
CAS:466-40-0DrugCentral