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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 17:26:32 UTC
Update Date2021-09-26 23:12:49 UTC
HMDB IDHMDB0256847
Secondary Accession NumbersNone
Metabolite Identification
Common NamePropyzamide
DescriptionPropyzamide, also known as kerb or pronamide, belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring. Based on a literature review a small amount of articles have been published on Propyzamide. This compound has been identified in human blood as reported by (PMID: 31557052 ). Propyzamide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Propyzamide 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
3,5-Dichloro-N-(1,1-dimethyl-2-propyn-1-yl)benzamideChEBI
3,5-Dichloro-N-(1,1-dimethylprop-2-ynyl)benzamideChEBI
CohortChEBI
KerbChEBI
Kerb floChEBI
PronamideChEBI
RustlerChEBI
3,5-Dichloro-N-(1,1-dimethyl-2-propynyl)benzamideKegg
N-(1,1-Dimethylpropynyl)-3,5-dichlorobenzamideMeSH
PropisamideMeSH
PropizamideMeSH
Chemical FormulaC12H11Cl2NO
Average Molecular Weight256.128
Monoisotopic Molecular Weight255.021769393
IUPAC Name3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide
Traditional Namepronamide
CAS Registry NumberNot Available
SMILES
CC(C)(NC(=O)C1=CC(Cl)=CC(Cl)=C1)C#C
InChI Identifier
InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)
InChI KeyPHNUZKMIPFFYSO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoic acids and derivatives
Direct Parent3-halobenzoic acids and derivatives
Alternative Parents
Substituents
  • 3-halobenzoic acid or derivatives
  • Benzamide
  • Benzoyl
  • 1,3-dichlorobenzene
  • Chlorobenzene
  • Halobenzene
  • Aryl chloride
  • Aryl halide
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Acetylide
  • Carboxylic acid derivative
  • Organic nitrogen compound
  • Organohalogen compound
  • Organochloride
  • Organonitrogen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Process
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 IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID29822
KEGG Compound IDC14333
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID34935
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1335041
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 ]