Chemical Component Summary

Name1,3-PROPANDIOL
Identifierspropane-1,3-diol
FormulaC3 H8 O2
Molecular Weight76.094
TypeNON-POLYMER
Isomeric SMILESC(CO)CO
InChIInChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
InChIKeyYPFDHNVEDLHUCE-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count13
Chiral Atom Count0
Bond Count12
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB02774 
Name1,3-Propanediol
Groups experimental
Synonyms
  • Trimethylene glycol
  • 1,3-propylene glycol
  • 2-(hydroxymethyl)ethanol
  • beta-Propylene glycol
  • β-propylene glycol
Brand Names
  • Coupling Chamomile Relax Premium massagelotion
  • Second 20 Y-ZONE Serum
  • Coupling Lavender Relax Premium massagelotion
Categories
  • Alcohols
  • Glycols
CAS number504-63-2

Drug Targets

NameTarget SequencePharmacological ActionActions
Haloalkane dehalogenaseMSLGAKPFGEKKFIEIKGRRMAYIDEGTGDPILFQHGNPTSSYLWRNIMP...unknown
ADP-ribosylation factor 1MGNIFANLFKGLFGKKEMRILMVGLDAAGKTTILYKLKLGEIVTTIPTIG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 10442
ChEMBL CHEMBL379652
ChEBI CHEBI:16109
CCDC/CSD QUXZIT, EDUVOQ, RUSLIB, KAVKIE01, NUNWEZ, QATTEK