Details of the Drug

General Information of Drug (ID: DMI36WC)

Drug Name
1,4-Diethylene Dioxide
Synonyms
1,4-DIOXANE; Dioxane; 123-91-1; p-Dioxane; 1,4-Diethylene dioxide; Diethylene ether; Dioxan; 1,4-Dioxacyclohexane; Dioxanne; Tetrahydro-p-dioxin; Di(ethylene oxide); Tetrahydro-1,4-dioxin; Dioxane-1,4; Diethylene dioxide; Glycol ethylene ether; 1,4-Dioxan; p-Dioxan; Dioxan-1,4; Dioxyethylene ether; Dioksan; Diokan; para-Dioxane; Tetrahydro-para-dioxin; Diossano-1,4; Dioxaan-1,4; p-Dioxin, tetrahydro-; Glycolethylenether; Dioksan [Polish]; Dioxanne [French]; RCRA waste number U108; p-Dioxan [Czech]; 1,4-Dioxanne; NCI-C03689
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 88.11
Logarithm of the Partition Coefficient (xlogp) -0.3
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C4H8O2
IUPAC Name
1,4-dioxane
Canonical SMILES
C1COCCO1
InChI
InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
InChIKey
RYHBNJHYFVUHQT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
31275
ChEBI ID
CHEMBL47032
CAS Number
123-91-1
UNII
J8A3S10O7S
DrugBank ID
DB03316
TTD ID
D08AMH
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
B-cell-activating factor (TNFSF13B) TTWMIDN TN13B_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.