methadone-d9 (CHEBI:189117)

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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	methadone-d9

ChEBI ID	CHEBI:189117

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H18D9NO

Net Charge

Average Mass

318.508

Monoisotopic Mass

318.26576

InChI

InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/i1D3,3D3,4D3

InChIKey

USSIQXCVUWKGNF-MXOMHCEVSA-N

SMILES

O=C(C(CC(N(C([2H])([2H])[2H])C([2H])([2H])[2H])C)(C1=CC=CC=C1)C2=CC=CC=C2)CC([2H])([2H])[2H]

Metabolite of Species	Details
Arabidopsis thaliana (NCBI:txid3702)	Found in leaf (BTO:0000713). See: MetaboLights Study

ChEBI Ontology
Outgoing	methadone-d9 (CHEBI:189117) is a diarylmethane (CHEBI:51614)

IUPAC Name

6-[bis(trideuteriomethyl)amino]-1,1,1-trideuterio-4,4-diphenylheptan-3-one