ETX

2-ETHOXYETHANOL

Created: 2003-10-02
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count16
Chiral Atom Count0
Bond Count15
Aromatic Bond Count0
2D diagram of ETX

Chemical Component Summary

Name2-ETHOXYETHANOL
Systematic Name (OpenEye OEToolkits)2-ethoxyethanol
FormulaC4 H10 O2
Molecular Weight90.121
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04OCCOCC
SMILESCACTVS3.341CCOCCO
SMILESOpenEye OEToolkits1.5.0CCOCCO
Canonical SMILESCACTVS3.341 CCOCCO
Canonical SMILESOpenEye OEToolkits1.5.0 CCOCCO
InChIInChI1.03 InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3
InChIKeyInChI1.03 ZNQVEEAIQZEUHB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02249 
Name2-Ethoxyethanol
Groups experimental
Synonyms2-Ethoxyethanol
Categories
  • Alcohols
  • Glycols
  • Solvents
CAS number110-80-5

Drug Targets

NameTarget SequencePharmacological ActionActions
Alcohol dehydrogenase 1CMSTAGKVIKCKAAVLWELKKPFSIEEVEVAPPKAHEVRIKMVAAGICRSD...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 8076
ChEMBL CHEMBL119596
ChEBI CHEBI:46788
CCDC/CSD GOVPOZ, AZONUA, AZOMUZ, XARQOZ, ZECQUX