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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
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
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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-
(
2
H
3
)methyl-
5-
(
2
H
5
)phenyl-
1,3-
dihydro-
2
H
-
1,4-
benzodiazepin-
2-
one
Synonyms
Sources
7-
chloro-
1,3-
dihydro-
1-
(methyl-
d
3
)-
5-
(phenyl-
d
5
)-
2
H
-
1,4-
benzodiazepin-
2-
one
ChEBI
7-chloro-5-(2,3,4,5,6-pentadeuteriophenyl)-1-(trideuteriomethyl)-3
H
-1,4-benzodiazepin-2-one
ChEBI
Manual Xref
Database
68003789
ChemSpider
View more database links
Registry Number
Type
Source
83056-50-2
CAS Registry Number
ChEBI
Last Modified
23 December 2022