CHEBI:194180 - diazepam-d8

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ChEBI Name diazepam-d8
ChEBI ID CHEBI:194180
Definition A deuterated compound that is diazepam in which all eight hydrogen atoms of the methyl and phenyl groups are replaced by deuterium.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information
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Formula C24H29ClN2O
Net Charge 0
Average Mass 396.960
Monoisotopic Mass 396.19684
InChI InChI=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
InChIKey AAOVKJBEBIDNHE-JGUCLWPXSA-N
SMILES CC1=C(C)C(C)=C(C(C)=C1C)C1=NCC(=O)N(C2=CC=C(Cl)C=C12)C(C)(C)C
ChEBI Ontology
Outgoing 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 Sources
7-chloro-1,3-dihydro-1-(methyl-d3)-5-(phenyl-d5)-2H-1,4-benzodiazepin-2-one ChEBI
7-chloro-5-(2,3,4,5,6-pentadeuteriophenyl)-1-(trideuteriomethyl)-3H-1,4-benzodiazepin-2-one ChEBI
Manual Xref Database
68003789 ChemSpider
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Registry Number Type Source
83056-50-2 CAS Registry Number ChEBI
Last Modified
23 December 2022