Phenobarbital-d5 (CHEBI:190563)

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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	Phenobarbital-d5

ChEBI ID	CHEBI:190563

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H7D5N2O3

Net Charge

Average Mass

237.270

Monoisotopic Mass

237.11618

InChI

InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)/i1D3,2D2

InChIKey

DDBREPKUVSBGFI-ZBJDZAJPSA-N

SMILES

O=C1NC(=O)NC(=O)C1(C(C([2H])([2H])[2H])([2H])[2H])C2=CC=CC=C2

Metabolite of Species	Details
Rattus norvegicus (NCBI:txid10116)	Found in liver (BTO:0000759). See: MetaboLights Study

ChEBI Ontology
Outgoing	Phenobarbital-d5 (CHEBI:190563) is a deuterated compound (CHEBI:76107) Phenobarbital-d5 (CHEBI:190563) is a pyrimidone (CHEBI:38337)

IUPAC Name

5-(1,1,2,2,2-pentadeuterioethyl)-5-phenyl-1,3-diazinane-2,4,6-trione

Registry Number	Type	Source
73738-05-3	CAS Registry Number	ChemIDplus

Last Modified

23 January 2023