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CHEBI:194180 - diazepam-d8

ChEBI IDCHEBI:194180
ChEBI Namediazepam-d8
Stars
DefinitionA deuterated compound that is diazepam in which all eight hydrogen atoms of the methyl and phenyl groups are replaced by deuterium.
Last Modified23 December 2022
Submittermwilliams
DownloadsMolfile
FormulaC24H29ClN2O
Net Charge0
Average Mass396.962
Monoisotopic Mass396.19684
SMILESCc1c(C)c(C)c(C2=NCC(=O)N(C(C)(C)C)c3ccc(Cl)cc32)c(C)c1C
InChIInChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3/i1D3,2D,3D,4D,5D,6D
InChIKeyAAOVKJBEBIDNHE-JGUCLWPXSA-N
ChEBI Ontology
Outgoing Relation(s)
diazepam-d8 (CHEBI:194180) has functional parent diazepam (CHEBI:49575)
diazepam-d8 (CHEBI:194180) is a deuterated compound (CHEBI:76107)
IUPAC Name 
7-chloro-1-(2H3)methyl-5-(2H5)phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Synonyms  Source
7-chloro-1,3-dihydro-1-(methyl-d3)-5-(phenyl-d5)-2H-1,4-benzodiazepin-2-oneChEBI
7-chloro-5-(2,3,4,5,6-pentadeuteriophenyl)-1-(trideuteriomethyl)-3H-1,4-benzodiazepin-2-oneChEBI
Manual XrefsDatabases
68003789ChemSpider
Registry NumbersSources
CAS:83056-50-2ChEBI