DIO

1,4-DIETHYLENE DIOXIDE


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Chemical Component Summary

Name1,4-DIETHYLENE DIOXIDE
Identifiers1,4-dioxane
FormulaC4 H8 O2
Molecular Weight88.105
TypeNON-POLYMER
Isomeric SMILESC1COCCO1
InChIInChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
InChIKeyRYHBNJHYFVUHQT-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count14
Chiral Atom Count0
Bond Count14
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB03316 
Name1,4-Dioxane
Groups experimental
Synonyms
  • 1,4-Dioxan
  • 1,4-Dioxane
  • 1,4-dioxacyclohexane
  • tetrahydro-p-dioxin
  • di(ethylene oxide)
CAS number123-91-1

Drug Targets

NameTarget SequencePharmacological ActionActions
Subtilisin CarlsbergMMRKKSFWLGMLTAFMLVFTMAFSDSASAAQPAKNVEKDYIVGFKSGVKT...unknown
Tumor necrosis factor ligand superfamily member 13BMDDSTEREQSRLTSCLKKREEMKLKECVSILPRKESPSVRSSKDGKLLAA...unknown
Epsin-1MSTSSLRRQMKNIVHNYSEAEIKVREATSNDPWGPSSSLMSEIADLTYNV...unknown
Structural polyproteinMNRGFFNMLGRRPFPAPTAMWRPRRRRQAAPMPARNGLASQIQQLTTAVS...unknown
Transforming growth factor beta-3MKMHLQRALVVLALLNFATVSLSLSTCTTLDFGHIKKKRVEAIRGQILSK...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 31275
ChEMBL CHEMBL453716
ChEBI CHEBI:47032
CCDC/CSD AWUCEC, AYOHIH, AWOLEF, BAPCIH, AMULOK, ANIGAH, ASATOD, BEWJAR, AHOGAI, BINLIW, ABECAO, ARAWEW, AJUMOI, AVATOG, BINMIU, BAVYAY, AKELOT, AXIPBT, BAVYEC, BAFMUS, BAFNAZ, BEPJUD, ANZHDX, BEZYIO, BEZYIO10, AYAPIA, AMFURB, ANURAD, ANTXOU, ACIDIZ, BASLUE, BEVTII, BEQGEK, ANILER01, ABUDAG, AYAROK, APIZAD
COD 2007920, 7207491, 7200842