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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2022-09-09 19:35:47 UTC
Update Date2022-09-22 18:35:05 UTC
HMDB IDHMDB0341191
Secondary Accession NumbersNone
Metabolite Identification
Common NamePropamocarb
DescriptionPropamocarb belongs to the class of organic compounds known as carbamate esters. Carbamate esters are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids. Propamocarb is a very strong basic compound (based on its pKa). Propamocarb is a potentially toxic compound. Most of the carbamates are extremely toxic to Hymenoptera, and precautions must be taken to avoid exposure to foraging bees or parasitic wasps. Overstimulation of nicotinic acetylcholine receptors in the central nervous system, due to accumulation of ACh, results in anxiety, headache, convulsions, ataxia, depression of respiration and circulation, tremor, general weakness, and potentially coma. Contraction of the pupils with blurred vision, incoordination, muscle twitching and slurred speech have been reported.
Structure
Thumb
Synonyms
ValueSource
PropamocarbeChEBI
Propyl (3-(dimethylamino)propyl)carbamateChEBI
Propyl 3-(dimethylamino)propylcarbamateChEBI
Propyl N-[3-(dimethylamino)propyl]carbamateChEBI
Propyl (3-(dimethylamino)propyl)carbamic acidGenerator
Propyl 3-(dimethylamino)propylcarbamic acidGenerator
Propyl N-[3-(dimethylamino)propyl]carbamic acidGenerator
PrevicurMeSH
Propamocarb monohydrochlorideMeSH
Propyl(3-(dimethylamino)propyl)carbamate monohydrochlorideMeSH
Chemical FormulaC9H20N2O2
Average Molecular Weight188.2673
Monoisotopic Molecular Weight188.152477894
IUPAC Namepropyl N-[3-(dimethylamino)propyl]carbamate
Traditional Namepropamocarb
CAS Registry NumberNot Available
SMILES
CCCOC(=O)NCCCN(C)C
InChI Identifier
InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)
InChI KeyWZZLDXDUQPOXNW-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as carbamate esters. Carbamate esters are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentCarbamate esters
Alternative Parents
Substituents
  • Carbamic acid ester
  • Tertiary aliphatic amine
  • Tertiary amine
  • Carbonic acid derivative
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic 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

Predicted Kovats Retention Indices

Not Available
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
UrineDetected 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 IDNot Available
KEGG Compound IDC18885
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPropamocarb
METLIN IDNot Available
PubChem Compound32490
PDB IDNot Available
ChEBI ID82033
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. Neto FC, Raftery D: Expanding Urinary Metabolite Annotation through Integrated Mass Spectral Similarity Networking. Anal Chem. 2021 Sep 7;93(35):12001-12010. doi: 10.1021/acs.analchem.1c02041. Epub 2021 Aug 26. [PubMed:34436864 ]