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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 09:21:10 UTC
Update Date2021-09-26 23:03:58 UTC
HMDB IDHMDB0251757
Secondary Accession NumbersNone
Metabolite Identification
Common NameEltoprazine
DescriptionEltoprazine belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group. Based on a literature review very few articles have been published on Eltoprazine. This compound has been identified in human blood as reported by (PMID: 31557052 ). Eltoprazine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Eltoprazine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
Thumb
Synonyms
ValueSource
1-(2,3-dihydro-1,4-Benzodioxin-5-yl)piperazineMeSH
Eltoprazine hydrochlorideMeSH
Chemical FormulaC12H16N2O2
Average Molecular Weight220.272
Monoisotopic Molecular Weight220.121177763
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
Traditional Nameeltoprazine
CAS Registry NumberNot Available
SMILES
C1CN(CCN1)C1=C2OCCOC2=CC=C1
InChI Identifier
InChI=1S/C12H16N2O2/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12/h1-3,13H,4-9H2
InChI KeyWVLHGCRWEHCIOT-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazinanes
Sub ClassPiperazines
Direct ParentN-arylpiperazines
Alternative Parents
Substituents
  • N-arylpiperazine
  • Benzo-1,4-dioxane
  • Benzodioxane
  • Tertiary aliphatic/aromatic amine
  • Dialkylarylamine
  • Alkyl aryl ether
  • Para-dioxin
  • Benzenoid
  • Tertiary amine
  • Secondary aliphatic amine
  • Ether
  • Secondary amine
  • Oxacycle
  • Azacycle
  • Organonitrogen compound
  • Amine
  • Organic nitrogen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organopnictogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB12883
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID59265
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkEltoprazine
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]