CAT

DODECANE-TRIMETHYLAMINE

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge1
Atom Count50
Chiral Atom Count0
Bond Count49
Aromatic Bond Count0
2D diagram of CAT
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Chemical Component Summary

NameDODECANE-TRIMETHYLAMINE
Systematic Name (OpenEye OEToolkits)dodecyl-trimethyl-azanium
FormulaC15 H34 N
Molecular Weight228.437
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04C(CCCC[N+](C)(C)C)CCCCCCC
SMILESCACTVS3.341CCCCCCCCCCCC[N+](C)(C)C
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCC[N+](C)(C)C
Canonical SMILESCACTVS3.341 CCCCCCCCCCCC[N+](C)(C)C
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCCCCCCCC[N+](C)(C)C
InChIInChI1.03 InChI=1S/C15H34N/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4/h5-15H2,1-4H3/q+1
InChIKeyInChI1.03 VICYBMUVWHJEFT-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02779 
NameDodecyltrimethylammonium
Groups experimental
Synonyms
  • n-Dodecyltrimethylammonium
  • laurtrimonium bromide
  • laurtrimonium
  • Dodecyltrimethylammonium
  • Dodecyltrimethylammonium ion
Categories
  • Amines
  • Ammonium Compounds
  • Compounds used in a research, industrial, or household setting
  • Detergents
  • Household Products
CAS number10182-91-9

Drug Targets

NameTarget SequencePharmacological ActionActions
Tyrosine-protein phosphatase non-receptor type 11MTSRRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDFTLSVRRNGA...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
PubChem 8153
ChEMBL CHEMBL1180004
ChEBI CHEBI:41378