Chemical Component Summary

NameDIETHYLCARBAMODITHIOIC ACID
Identifiersdiethylaminomethanedithioic acid
FormulaC5 H11 N S2
Molecular Weight149.278
TypeNON-POLYMER
Isomeric SMILESCCN(CC)C(=S)S
InChIInChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)
InChIKeyLMBWSYZSUOEYSN-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count0
Bond Count18
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB02520 
NameDitiocarb
Groups experimental
DescriptionA chelating agent that has been used to mobilize toxic metals from the tissues of man and experimental animals. It is the main metabolite of DISULFIRAM.
Synonyms
  • diethyldithiocarbamic acid
  • diethylcarbamodithioic acid
  • diethyl-dithiocarbamate
  • diethyldithiocarbamate
  • Ditiocarb
Categories
  • Acids, Acyclic
  • Adjuvants, Immunologic
  • Anti-Infective Agents
  • Carbamates
  • Chelating Agents
CAS number147-84-2

Drug Targets

NameTarget SequencePharmacological ActionActions
Cytochrome P450 2E1MSALGVTVALLVWAAFLLLVSMWRQVHSSWNLPPGPFPLPIIGNLFQLEL...unknowninhibitor
Cytochrome P450 3A4MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...unknowninhibitor
Cytochrome P450 3A5MDLIPNLAVETWLLLAVSLVLLYLYGTRTHGLFKRLGIPGPTPLPLLGNV...unknowninhibitor
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
Pharos CHEMBL961
PubChem 8987, 13644049
ChEMBL CHEMBL961