CHEBI:173585 - N-Desmethyl tapentadol

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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 N-Desmethyl tapentadol
ChEBI ID CHEBI:173585
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C13H21NO
Net Charge 0
Average Mass 207.317
Monoisotopic Mass 207.16231
InChI InChI=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
InChIKey PQQINTFVECNXLC-GXFFZTMASA-N
SMILES OC=1C=C([C@@H]([C@H](CNC)C)CC)C=CC1
ChEBI Ontology
Outgoing N-Desmethyl tapentadol (CHEBI:173585) is a alkylbenzene (CHEBI:38976)
IUPAC Name
3-[(2R,3R)-2-methyl-1-(methylamino)pentan-3-yl]phenol
Manual Xrefs Databases
30778574 ChemSpider
HMDB0060611 HMDB
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Registry Number Type Source
1300037-83-5 CAS Registry Number ChemIDplus