N,N-Didesmethyltramadol (CHEBI:173679)

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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,N-Didesmethyltramadol

ChEBI ID	CHEBI:173679

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H21NO2

Net Charge

Average Mass

235.327

Monoisotopic Mass

235.15723

InChI

InChI=1S/C14H21NO2/c1-17-13-7-4-6-11(9-13)14(16)8-3-2-5-12(14)10-15/h4,6-7,9,12,16H,2-3,5,8,10,15H2,1H3/t12-,14+/m1/s1

InChIKey

QNPPIKMBCJUUTG-OCCSQVGLSA-N

SMILES

O[C@]1([C@H](CCCC1)CN)C2=CC(OC)=CC=C2

ChEBI Ontology
Outgoing	N,N-Didesmethyltramadol (CHEBI:173679) is a methoxybenzenes (CHEBI:51683)

IUPAC Name

(1R,2R)-2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol