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Diazepam - Compound Summary (CID 3016)

A benzodiazepine with anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties and a long duration of action. Its actions are mediated by enhancement of GAMMA-AMINOBUTYRIC ACID activity. It is used in the treatment of severe anxiety disorders, as a hypnotic in the short-term management of insomnia, as a sedative and premedicant, as an anticonvulsant, and in the management of alcohol withdrawal syndrome. (From Martindale, The Extra Pharmacopoeia, 30th ed, p589)


Drug and Chemical Information: (Total:1)         

Medication Information

Diazepam rectal gel rectal delivery system is a non-sterile diazepam gel provided in a prefilled, unit-dose, rectal delivery system. Diazepam rectal gel contains 5 mg/mL diazepam, propylene glycol, ethyl alcohol (10%), hydroxypropyl
DescriptionClinical PharmacologyIndication & Usage
ContraindicationsWarningsPrecautions
Adverse ReactionsOverdosageDosage & Administration
How SuppliedSupplemental Patient Material














Pharmacological Action

Adjuvants, Anesthesia - Agents that are administered in association with anesthetics to increase effectiveness, improve delivery, or decrease required dosage.

Anticonvulsants - Drugs used to prevent SEIZURES or reduce their severity.

Antiemetics - Drugs used to prevent NAUSEA or VOMITING. Antiemetics act by a wide range of mechanisms. Some act on the medullary control centers (the ...

Hypnotics and Sedatives - Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.

Muscle Relaxants, Central - A heterogeneous group of drugs used to produce muscle relaxation, excepting the neuromuscular blocking agents. They have their primary ...

Anti-Anxiety Agents - Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of ...

Anesthetics, Intravenous - Ultrashort-acting anesthetics that are used for induction. Loss of consciousness is rapid and induction is pleasant, but there is no muscle ...

GABA Modulators - Substances that do not act as agonists or antagonists but do affect the GAMMA-AMINOBUTYRIC ACID receptor-ionophore complex. GABA-A ...


  Pharmacological Classification
Chemical Actions and Uses
      Pharmacologic Actions
            Molecular Mechanisms of Pharmacological Action
                  Neurotransmitter Agents
                        GABA Agents
                              GABA Modulators
            Physiological Effects of Drugs
                  Central Nervous System Depressants
                        Anesthetics
                              Anesthetics, General
                                    Anesthetics, Intravenous
                        Hypnotics and Sedatives
                        Tranquilizing Agents
                              Anti-Anxiety Agents
                  Hypnotics and Sedatives
                  Muscle Relaxants, Central
                  Neurotransmitter Agents
                        GABA Agents
                              GABA Modulators
                  Peripheral Nervous System Agents
                        Autonomic Agents
                              Antiemetics
                        Neuromuscular Agents
                              Muscle Relaxants, Central
            Therapeutic Uses
                  Central Nervous System Agents
                        Adjuvants, Anesthesia
                        Anticonvulsants
                        Antiemetics
                        Central Nervous System Depressants
                              Anesthetics
                                    Anesthetics, General
                                          Anesthetics, Intravenous
                              Hypnotics and Sedatives
                              Tranquilizing Agents
                                    Anti-Anxiety Agents
                        Hypnotics and Sedatives
                        Muscle Relaxants, Central
                        Psychotropic Drugs
                              Tranquilizing Agents
                                    Anti-Anxiety Agents
                  Gastrointestinal Agents
                        Antiemetics


  Chemical Classification
Heterocyclic Compounds
      Heterocyclic Compounds, 2-Ring
            Benzazepines
                  Benzodiazepines
                        Benzodiazepinones
                              Diazepam


Safety and Toxicology

HSDB - Peer-reviewed summary of toxicity and biomedical effects

NJ-HSFS - New Jersey Material Data Safety Sheets

CCRIS - Carcinogenicity, tumor promotion, tumor inhibition, and mutagenicity tests

EINECS - European Inventory of Existing Commercial Chemical Substances

GENETOX - Genetic toxicology information

TOXLINE - Citations to the toxicological literature

LactMed - Information on chemicals that breastfeeding mothers may be exposed

ClinicalTrials.gov - Registry of federal and private clinical trials

NTP DBS - Toxicological assay results


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Literature Keyword Mining Tool



BioActivity Results:
Tested in BioAssays: All: 89   Active: 2   Inactive: 86
BioActivity Summary:
This Compound   with Similar Compounds

AID: 1195 Source: EPA DSSTox
DSSTox (FDAMDD) FDA Maximum (Recommended) Daily Dose Database

AID: 192 Source: DTP/NCI
NCI In Vivo Anticancer Drug Screen. Data for tumor model B16 Melanoma (intraperitoneal) in B6D2F1 (BDF1) mice

AID: 1533 Source: PCMD
Rml C and D inhibition 384-well mixture HTS from 1536-well compound plates

AID: 1531 Source: NMMLSC
Multiplex HTS Assay for Inhibitors of MEK Kinase PB1 Domains, specifically MEK5 binding to MEK Kinase 2 Wildtype

more ...

Depositor-Supplied Synonyms: (Total: 286)
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Properties Computed from Structure:
Molecular Weight284.74022 [g/mol]
Molecular FormulaC16H13ClN2O
XLogP33
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count1
Exact Mass284.071641
MonoIsotopic Mass284.071641
Topological Polar Surface Area32.7
Heavy Atom Count20
Formal Charge0
Complexity403
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
Canonical SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
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

InChIKey: AAOVKJBEBIDNHE-UHFFFAOYSA-N


Compound Information:
CID 3016   
Create Date: 2005-03-25

Related Compounds:
Same, Connectivity: 3 Links

Similar Compounds: 491 Links
Similar Conformers: 1495 Links    View Conformers


Substance Information:
Substances:
    All: 90 Links
    Same structure: 49 Links
    Mixture: 41 Links

Category: [for same structure substances]
Biological Properties: 22 Links
   ChEBI ( 1 )
SID 49742658 - External ID: CHEBI:49575
   ChemBank ( 11 )   
   ChemBlock ( 1 )
SID 7945393 - External ID: A3662/0155188
   Comparative Toxicogenomics Database ( 1 )
SID 53788455 - External ID: D003975
   DiscoveryGate ( 1 )
SID 8151919 - External ID: 3016
   DTP/NCI ( 2 )
SID 442487 - External ID: 169897
SID 118340 - External ID: 77518
   LeadScope ( 1 )
SID 49854346 - External ID: LS-122
   NextBio ( 1 )
SID 50660483 - External ID: 3016
   NIAID ( 1 )
SID 597369 - External ID: 001617
   NINDS Approved Drug Screening Program ( 1 )
SID 8150113 - External ID: 01900003
   xPharm ( 1 )
SID 7979063 - External ID: 8284

Chemical Reactions: 2 Links
   ChemSynthesis ( 1 )
SID 56281094 - External ID: 11118
   Comparative Toxicogenomics Database ( 1 )
SID 53788455 - External ID: D003975

Journal Publishers: 2 Links
   Nature Chemical Biology ( 1 )
SID 7849643 - External ID: nchembio747-comp27
   Thomson Pharma ( 1 )
SID 14799843 - External ID: 00001059

Metabolic Pathways: 3 Links
   Comparative Toxicogenomics Database ( 1 )
SID 53788455 - External ID: D003975
   KEGG ( 2 )
SID 9163 - External ID: C06948
SID 7847359 - External ID: D00293

NIH Molecular Libraries: 1 Link
   NCGC ( 1 )
SID 50122777 - External ID: NCGC00178168-01

NIH Substance Repository: 1 Link
   MLSMR ( 1 )
SID 26719642 - External ID: MLS000759402

Physical Properties: 5 Links
   ChemExper Chemical Directory ( 1 )
   ChemSynthesis ( 1 )
SID 56281094 - External ID: 11118
   NIST ( 1 )
SID 10465272 - External ID: 2465248872
   NIST Chemistry WebBook ( 1 )
SID 10522913 - External ID: 2465248872
   NMRShiftDB ( 1 )
SID 589069 - External ID: 10016206

Protein 3D Structures: 2 Links
   MMDB ( 1 )
SID 8027939 - External ID: 35374.3
   SMID ( 1 )
SID 7887249 - External ID: DZP

Substance Vendors: 8 Links
   Ambinter ( 1 )
SID 24999819 - External ID: A3662/0155188
   ChemExper Chemical Directory ( 1 )
   ChemSpider ( 2 )
SID 36520150 - External ID: 13853118
SID 29222163 - External ID: 2908
   ChemSynthesis ( 1 )
SID 56281094 - External ID: 11118
   Sigma-Aldrich ( 2 )
SID 24893306 - External ID: D0899_SIGMA
SID 24894120 - External ID: D9900_SIGMA
   ZINC ( 1 )
SID 866565 - External ID: ZINC00006427

Theoretical Properties: 2 Links
   ChemDB ( 1 )
SID 5349992 - External ID: 3966308
   ZINC ( 1 )
SID 866565 - External ID: ZINC00006427

Toxicology: 6 Links
   ChemIDplus ( 1 )
SID 153142 - External ID: 000439145
   Comparative Toxicogenomics Database ( 1 )
SID 53788455 - External ID: D003975
   EPA DSSTox ( 4 )
SID 48413548 - External ID: 20406
SID 48415873 - External ID: 22913
SID 48423248 - External ID: 31142
SID 56313613 - External ID: 48587

     

2D

3D

Compound ID3016
Molecular Weight284.74022 [g/mol]
Molecular FormulaC16H13ClN2O
XLogP33
H-Bond Donor0
H-Bond Acceptor2


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