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diazepam

PropertiesImage
MNX_IDMNXM50391 Image of MNXM50391
referencechebi:49575
formulaC16H13ClN2O
global charge0
mol weight284.746
InChIKeyAAOVKJBEBIDNHE-UHFFFAOYSA-N
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
SMILESCN1C(=O)CN=C(C2=CC=CC=C2)C2=C1C=CC(Cl)=C2
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM50391
SMILES (mnx)[CH3:1][N:19]1[C:14]2=[C:13]([CH:9]=[C:12]([Cl:17])[CH:7]=[CH:8]2)[C:16]([C:11]2=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]2)=[N:18][CH2:10][C:15]1=[O:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:49575
chebi:49575
AAOVKJBEBIDNHE-UHFFFAOYSA-N 		diazepam
7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one
7-chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Diazepam
Valium
methyl diazepinone

bigg.metabolite:C06948
biggM:C06948
envipath:...30fd07f76efa
envipathM:...30fd07f76efa
seed.compound:cpd04280
seedM:cpd04280
kegg.compound:C06948
keggC:C06948
AAOVKJBEBIDNHE-UHFFFAOYSA-N 		Diazepam

kegg.drug:D00293
keggD:D00293
AAOVKJBEBIDNHE-UHFFFAOYSA-N 		Diazepam (JP18/USP/INN)
Diastat (TN)
Valium (TN)
hmdb:HMDB0014967
AAOVKJBEBIDNHE-UHFFFAOYSA-N 		Diazepam
7-Chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one
7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
Apaurin
Diastat
Diazemuls
Faustan
Methyl diazepinone
Methyldiazepinone
Relanium
Seduxen
Sibazon
Stesolid
Valium
diazepam

vmhM:C06948
vmhmetabolite:C06948
AAOVKJBEBIDNHE-UHFFFAOYSA-N 		Diazepam
7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one

CHEBI:194180
chebi:194180
AAOVKJBEBIDNHE-UHFFFAOYSA-N 		diazepam-d8
7-chloro-1,3-dihydro-1-(methyl-d3)-5-(phenyl-d5)-2H-1,4-benzodiazepin-2-one
7-chloro-1-((2)H3)methyl-5-((2)H5)phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
7-chloro-5-(2,3,4,5,6-pentadeuteriophenyl)-1-(trideuteriomethyl)-3H-1,4-benzodiazepin-2-one

hmdb:HMDB14967
chebi:4494
chebi:49574
biggM:M_C06948
keggC:M_C06948
keggD:M_D00293
seedM:M_cpd04280
vmhM:M_C06948 		secondary/obsolete/fantasy identifier