amitriptyline-d(3) (CHEBI:194179)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	amitriptyline-d₃

ChEBI ID	CHEBI:194179

ChEBI ASCII Name	amitriptyline-d3

Definition	A deuterated compound that is amitriptyline in which three hydrogen atoms of the methyl group are replaced by deuterium.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Mark Williams

Supplier Information

Download	Molfile XML SDF

more structures >>

Formula

C20H20D3N

Net Charge

Average Mass

280.429

Monoisotopic Mass

280.20188

InChI

InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3/i1D3

InChIKey

KRMDCWKBEZIMAB-FIBGUPNXSA-N

SMILES

[2H]C([2H])([2H])N(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12

ChEBI Ontology
Outgoing	amitriptyline-d₃ (CHEBI:194179) has functional parent amitriptyline (CHEBI:2666) amitriptyline-d₃ (CHEBI:194179) is a deuterated compound (CHEBI:76107)

IUPAC Name

3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methyl-N-(²H₃)methylpropan-1-amine

Last Modified

04 January 2023