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Ethanol - Compound Summary (CID: 702)

A clear, colorless liquid rapidly absorbed from the gastrointestinal tract and distributed throughout the body. It has bactericidal activity and is used often as a topical disinfectant. It is widely used as a solvent and preservative in pharmaceutical preparations as well as serving as the primary ingredient in ALCOHOLIC BEVERAGES.


Drug and Chemical Information: (Total:1)         

Pharmacological Action

Anti-Infective Agents, Local - Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects.

Central Nervous System Depressants - A very loosely defined group of drugs that tend to reduce the activity of the central nervous system. The major groups included here are ...

Solvents - Liquids that dissolve other substances (solutes), generally solids, without any change in chemical composition, as, water containing sugar. (Grant & Hackh's Chemical Dictionary, 5th ed)


  Pharmacological Classification
Chemical Actions and Uses
      Pharmacologic Actions
            Physiological Effects of Drugs
                  Central Nervous System Depressants
            Therapeutic Uses
                  Anti-Infective Agents
                        Anti-Infective Agents, Local
                  Central Nervous System Agents
                        Central Nervous System Depressants
      Specialty Uses of Chemicals
            Solvents


  Chemical Classification
Organic Chemicals
      Alcohols
            Ethanol


Safety and Toxicology

HSDB - Peer-reviewed summary of toxicity and biomedical effects

NIOSH Pocket Guide - NIOSH Material Data Safety Sheets

NIOSH ICSC - NIOSH International Chemical Safety Cards

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

Haz-Map - Occupational toxicology information

TOXLINE - Citations to the toxicological literature

LactMed - Information on chemicals that breastfeeding mothers may be exposed

NTP DBS - Toxicological assay results

Household Products - Information on household products containing a chemical


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BioActivity Results:
Tested in BioAssays: All: 108   Active: 5   Inactive: 99
BioActivity Summary:
This Compound   with Similar Compounds

AID: 1208 Source: EPA DSSTox
DSSTox (CPDBAS) Carcinogenic Potency Database Summary Rat Bioassay Results

AID: 1205 Source: EPA DSSTox
DSSTox (CPDBAS) Carcinogenic Potency Database Summary MultiCellCall Results

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

AID: 1189 Source: EPA DSSTox
DSSTox (CPDBAS) Carcinogenic Potency Database Summary SingleCellCall Results

more ...

Depositor-Supplied Synonyms: (Total: 274)
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Properties Computed from Structure:
Molecular Weight46.06844 [g/mol]
Molecular FormulaC2H6O
H-Bond Donor1
H-Bond Acceptor1
Rotatable Bond Count0
Exact Mass46.041865
MonoIsotopic Mass46.041865
Topological Polar Surface Area20.2
Heavy Atom Count3
Formal Charge0
Complexity2.8
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: ethanol
Canonical SMILES: CCO


Compound Information:
CID: 702   
Create Date: 2004-09-16

Related Compounds:
Same, Connectivity: 21 Links

Similar Compounds: 80 Links


Substance Information:
Substances:
    All: 4080 Links
    Same structure: 458 Links
    Mixture: 3622 Links

Category: [for same structure substances]
Biological Properties: 7 Links
   ChEBI ( 1 )
SID: 8145680 - External ID: CHEBI:16236
   Comparative Toxicogenomics Database ( 1 )
SID: 53789428 - External ID: D000431
   DiscoveryGate ( 1 )
SID: 8150751 - External ID: 702
   DTP/NCI ( 1 )
SID: 122577 - External ID: 85228
   LeadScope ( 1 )
SID: 49855675 - External ID: LS-1539
   NIAID ( 1 )
SID: 601786 - External ID: 006139
   xPharm ( 1 )
SID: 7979196 - External ID: 8431

Chemical Reactions: 1 Link
   Comparative Toxicogenomics Database ( 1 )
SID: 53789428 - External ID: D000431

Journal Publishers: 2 Links
   Nature Chemical Biology ( 1 )
SID: 49737794 - External ID: nchembio.94-comp20
   Thomson Pharma ( 1 )
SID: 15170309 - External ID: 00044671

Metabolic Pathways: 8 Links
   BIND ( 1 )
SID: 841053 - External ID: 65
   BioCyc ( 1 )
SID: 2694 - External ID: ETOH
   Comparative Toxicogenomics Database ( 1 )
SID: 53789428 - External ID: D000431
   KEGG ( 4 )
SID: 3752 - External ID: C00469
SID: 7847136 - External ID: D00068
SID: 17396956 - External ID: D02798
SID: 47208198 - External ID: D06542
   UM-BBD ( 1 )
SID: 14709184 - External ID: c0038

NIH Molecular Libraries: 1 Link
   NCGC ( 1 )
SID: 17389892 - External ID: NCGC00091458-01

Physical Properties: 4 Links
   ChemExper Chemical Directory ( 1 )
SID: 3137603 - External ID: QMHAIh@
   NIST ( 1 )
SID: 10324365 - External ID: 3980530846
   NIST Chemistry WebBook ( 1 )
SID: 10531509 - External ID: 3980530846
   NMRShiftDB ( 1 )
SID: 588484 - External ID: 10009222

Protein 3D Structures: 10 Links
   MMDB ( 6 )   
   SMID ( 4 )
SID: 7887325 - External ID: EOH
SID: 7887328 - External ID: EOX
SID: 7889563 - External ID: OHE
SID: 7889631 - External ID: OXA

Substance Vendors: 381 Links
   ChemExper Chemical Directory ( 1 )
SID: 3137603 - External ID: QMHAIh@
   ChemSpider ( 329 )   
   Sigma-Aldrich ( 50 )   
   ZINC ( 1 )
SID: 12578012 - External ID: ZINC04795012

Theoretical Properties: 2 Links
   ChemDB ( 1 )
SID: 7344411 - External ID: 3965347
   ZINC ( 1 )
SID: 12578012 - External ID: ZINC04795012

Toxicology: 46 Links
   ChemIDplus ( 4 )
SID: 149046 - External ID: 000064175
SID: 687596 - External ID: 068475569
SID: 693661 - External ID: 071076863
SID: 693762 - External ID: 071329389
   Comparative Toxicogenomics Database ( 1 )
SID: 53789428 - External ID: D000431
   EPA DSSTox ( 41 )   

Compound ID702
Molecular Weight46.06844 [g/mol]
Molecular FormulaC2H6O
H-Bond Donor1
H-Bond Acceptor1


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