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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:49 UTC
Update Date2022-03-07 02:51:36 UTC
HMDB IDHMDB0014381
Secondary Accession Numbers
  • HMDB14381
Metabolite Identification
Common NamePipobroman
DescriptionPipobroman, also known as vercyte or a 8103, belongs to the class of organic compounds known as piperazines. Piperazines are compounds containing a piperazine ring, which is a saturated aliphatic six-member heterocyclic with two nitrogen atoms at positions 1 and 4, as well as four carbon atoms. Pipobroman is a drug which is used for the treatment of polycythaemia vera and refractory chronic myeloid leukaemia. Based on a literature review a significant number of articles have been published on Pipobroman.
Structure
Thumb
Synonyms
ValueSource
1,4-Bis(3-bromopropionyl)piperazineChEBI
a 8103ChEBI
a-8103ChEBI
AmedelChEBI
N,N-Bis-(3-bromopropionyl)-piperazineChEBI
VercyteChEBI
Chemical FormulaC10H16Br2N2O2
Average Molecular Weight356.054
Monoisotopic Molecular Weight353.95785306
IUPAC Name3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one
Traditional Namepipobroman
CAS Registry Number54-91-1
SMILES
BrCCC(=O)N1CCN(CC1)C(=O)CCBr
InChI Identifier
InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2
InChI KeyNJBFOOCLYDNZJN-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as piperazines. Piperazines are compounds containing a piperazine ring, which is a saturated aliphatic six-member heterocyclic with two nitrogen atoms at positions 1 and 4, as well as four carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazinanes
Sub ClassPiperazines
Direct ParentPiperazines
Alternative Parents
Substituents
  • Piperazine
  • Tertiary carboxylic acid amide
  • Carboxamide group
  • Carboxylic acid derivative
  • Azacycle
  • Alkyl bromide
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organobromide
  • Organohalogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Alkyl halide
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point> 300 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility2.24 g/LNot Available
LogP1.1Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00236 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00236 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00236
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID4676
KEGG Compound IDC07362
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPipobroman
METLIN IDNot Available
PubChem Compound4842
PDB IDNot Available
ChEBI ID8242
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 ReferencesNot Available