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CHEBI:194179 - amitriptyline-d3

Default Structure
ChEBI IDCHEBI:194179
ChEBI Nameamitriptyline-d3
Stars
ASCII Nameamitriptyline-d3
DefinitionA deuterated compound that is amitriptyline in which three hydrogen atoms of the methyl group are replaced by deuterium.
Last Modified4 January 2023
Submittermwilliams
DownloadsMolfile
FormulaC20H20D3N
Net Charge0
Average Mass280.429
Monoisotopic Mass280.20188
SMILES[2H]C([2H])([2H])N(C)CCC=C1c2ccccc2CCc2ccccc21
InChIInChI=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
InChIKeyKRMDCWKBEZIMAB-FIBGUPNXSA-N
ChEBI Ontology
Outgoing Relation(s)
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
Citations