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CHEBI:173585 - N-Desmethyl tapentadol

ChEBI IDCHEBI:173585
ChEBI NameN-Desmethyl tapentadol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21NO
Net Charge0
Average Mass207.317
Monoisotopic Mass207.16231
SMILESCC[C@@H](c1cccc(O)c1)[C@@H](C)CNC
InChIInChI=1S/C13H21NO/c1-4-13(10(2)9-14-3)11-6-5-7-12(15)8-11/h5-8,10,13-15H,4,9H2,1-3H3/t10-,13+/m0/s1
InChIKeyPQQINTFVECNXLC-GXFFZTMASA-N
ChEBI Ontology
Outgoing Relation(s)
N-Desmethyl tapentadol (CHEBI:173585) is a alkylbenzene (CHEBI:38976)
IUPAC Name 
3-[(2R,3R)-2-methyl-1-(methylamino)pentan-3-yl]phenol
Manual XrefsDatabases
30778574ChemSpider
HMDB0060611HMDB
Registry NumbersSources
CAS:1300037-83-5ChemIDplus