Record Information
Version1.0
Creation date2010-04-08 22:07:27 UTC
Update date2018-05-29 00:41:23 UTC
Primary IDFDB007103
Secondary Accession Numbers
  • FDB004117
Chemical Information
FooDB NameDiazepam
DescriptionDiazepam, first marketed as Valium by Hoffmann-La Roche, is a benzodiazepine derivative drug. It is commonly used for treating anxiety, insomnia, seizures including status epilepticus, muscle spasms (such as in cases of tetanus), restless legs syndrome, alcohol withdrawal, benzodiazepine withdrawal and Ménière's disease. Diazepam is found in potato and common wheat.
CAS Number439-14-5
Structure
Thumb
Synonyms
SynonymSource
7-Chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepinebiospider
7-Chloro-1-methyl-5-3H-1,4-benzodiazepin-2(1H)-onebiospider
7-Chloro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-onebiospider
7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-onebiospider
7-Chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2(1H)-onebiospider
7-chloro-1,3-dihydro-1-Methyl-5-phenyl-2H-1,4-benzodiazepin-2-oneChEBI
Alboralbiospider
Aliseumbiospider
Aluprambiospider
Amiprolbiospider
An-dingbiospider
Ansilivebiospider
Ansiolinbiospider
Ansiolisinabiospider
Antenexbiospider
Anxicalmbiospider
Anxionilbiospider
Apaurinbiospider
Apo-diazepambiospider
Apozepambiospider
Armonilbiospider
Arzepambiospider
Assivalbiospider
Atensinebiospider
Atilenbiospider
Azedipaminbiospider
Baoginbiospider
Bensedinbiospider
Benzopinbiospider
Bestbiospider
Betapambiospider
Bialzepambiospider
Britazepambiospider
Calmavenbiospider
Calmocitenebiospider
Calmodbiospider
Calmposebiospider
Caudelbiospider
Centrazepambiospider
Cercinebiospider
Ceregulartbiospider
Chuansuanbiospider
Desconetbiospider
Deslonegbiospider
Diacepanbiospider
Diaceplexbiospider
Dialagbiospider
Dialarbiospider
Diapambiospider
Diapaxbiospider
Diapinebiospider
Diaquelbiospider
Diastatbiospider
Diatranbiospider
Diazapambiospider
Diazembiospider
Diazepinbiospider
Dipambiospider
Dipazbiospider
Dipezonabiospider
Disopambiospider
Dizacbiospider
Dovalbiospider
Drenianbiospider
Ducenebiospider
Duksenbiospider
Dupinbiospider
Duxenbiospider
Eridanbiospider
Euphorin pbiospider
Eurosanbiospider
Evacalmbiospider
Faustalbiospider
Faustanbiospider
Gewacalmbiospider
Gradualbiospider
Gubexbiospider
Horizonbiospider
Jinpanfanbiospider
Kratiumbiospider
Lamrabiospider
Lembrolbiospider
Leviumbiospider
Loviumbiospider
Mandrobiospider
Mandrozepbiospider
Mentaliumbiospider
Methyl diazepinonebiospider
Methyldiazepinonebiospider
Morosanbiospider
Nelliumbiospider
Nerozenbiospider
Nivalenbiospider
Nixtensynbiospider
Notensebiospider
Novazambiospider
Pacitranbiospider
Paraliumbiospider
Parzambiospider
Paxbiospider
Paxatebiospider
Paxelbiospider
Paxumbiospider
Placidox 10biospider
Placidox 2biospider
Placidox 5biospider
Plidanbiospider
Pominbiospider
Propambiospider
Prozepambiospider
Psychopaxbiospider
Q-Pambiospider
Quievitabiospider
Radizepambiospider
Relaniumbiospider
Reliverbiospider
Sarometbiospider
Sedapambiospider
Seduksenbiospider
Seduxenbiospider
Serenackbiospider
Serenaminbiospider
Serenzinbiospider
Servizepambiospider
Setonilbiospider
Sibazonbiospider
Sibazonebiospider
Simasedanbiospider
Sipambiospider
Solisbiospider
Sonaconbiospider
Stesolidbiospider
Stesolinbiospider
Tensiumbiospider
Tensopambiospider
Tranimulbiospider
Trankinonbiospider
Tranquiritbiospider
Trazepambiospider
Umbriumbiospider
Unisedilbiospider
Valaxonabiospider
Valeobiospider
Valiquidbiospider
Valitranbiospider
Valiumbiospider
Valreleasebiospider
Valuzepambiospider
Vanconinbiospider
Vatranbiospider
Vazenbiospider
Vazepambiospider
Veliumbiospider
Vivalbiospider
Vivolbiospider
Winiibiospider
Zepaxidbiospider
Zipanbiospider
Predicted PropertiesNot Available
Chemical FormulaC16H13ClN2O
IUPAC name
InChI IdentifierInChI=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
InChI KeyAAOVKJBEBIDNHE-UHFFFAOYSA-N
Isomeric SMILESCN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1
Average Molecular Weight284.74
Monoisotopic Molecular Weight284.071640755
Classification
ClassificationNot classified
Ontology
Physiological effect

Health effect:

Disposition

Source:

Route of exposure:

Biological location:

Role

Environmental role:

Industrial application:

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting Point132 oC
Boiling PointNot Available
Experimental Water Solubility0.05 mg/mL at 25 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Experimental logP2.82SANGSTER (1994)
Experimental pKa3.4
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
GC-MSGC-MS Spectrum - CI-B (Non-derivatized)splash10-000i-0090000000-413ec5151b3a9fd41c47View in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0a4i-3690000000-3c601fed832ff090653aView in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0a59-1290000000-da27f63bddb3263e0063View in MoNA
GC-MSGC-MS Spectrum - CI-B (Non-derivatized)splash10-000i-0090000000-413ec5151b3a9fd41c47View in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0a4i-3690000000-3c601fed832ff090653aView in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0a59-1290000000-da27f63bddb3263e0063View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-05r0-1290000000-3f7c85c012a85c7146deView in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , positivesplash10-000i-0090000000-bece36773a183e23bfffView in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , positivesplash10-000i-0490000000-fbdfb84836374f27ffc7View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , positivesplash10-0006-0950000000-75d9ab376c968b83f255View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , positivesplash10-0006-0940000000-c585bcb21e1b3008adc1View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0a4i-0590000000-2c33d4fd40c36c20a4a6View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-000i-0090000000-695f91d3d5f2e1902be3View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-000i-0090000000-15d8ced2d42d3e292bb1View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-000i-0290000000-dfdaecb8b27bc1ad2c9eView in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0fdx-0890000000-b77eb07ad61e288eeb19View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0006-0940000000-fb79dac6c46f730fb465View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0006-1930000000-a6412a87698303834034View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-000i-0090000000-31830c983339c0e0d918View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-000i-0090000000-1028986b8e3b82b4bf96View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-000i-0290000000-0c2338f41998da54e8c5View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0fdx-0890000000-48e88a1c67f0fc25384fView in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0f6x-0940000000-ce56b132903858bd3b6bView in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0006-1930000000-b61e92cac5094920cf32View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0a4i-0590000000-e26e1398541d17b6632eView in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0f7c-0590000000-541488ae806b0dbd97cbView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-0090000000-a82533f29e9cb01fa7fbView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-0090000000-79bbd4209063f20101f8View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-8970000000-5c77f50a4816eecfef04View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-0090000000-5a624d4584e17376f63cView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-0090000000-31d6bb00202f2493ec8dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0pb9-9070000000-364b9c313a672f653207View in MoNA
MSMass Spectrum (Electron Ionization)splash10-0a59-2490000000-41352db33c43d0b96876View in MoNA
ChemSpider ID2908
ChEMBL IDCHEMBL12
KEGG Compound IDC06948
Pubchem Compound ID3016
Pubchem Substance IDNot Available
ChEBI ID4494
Phenol-Explorer IDNot Available
DrugBank IDDB00829
HMDB IDHMDB14967
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDDIAZEPAM
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDDZP
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDDiazepam
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / Bioactivities
DescriptorIDDefinitionReference
amnesigenic52209 A role played by the molecular entity or part thereof which causes the development of a pathological process.DUKE
anestheticDUKE
anti alcoholic52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
anti anorectic50780 An agent which regulates the physiologic mechanisms that control the appetite and food intake.DUKE
anti convulsant52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
anti epileptic52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
anti myocarditic38070 A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres.DUKE
anti schizophrenic52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
anti tetanic33282 A substance that kills or slows the growth of bacteria.DUKE
anti torticollic52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
anxiolytic35474 Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions.DUKE
myorelaxantDUKE
sedative35717 A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.DUKE
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).