16A

CETYL-TRIMETHYL-AMMONIUM

Created: 2002-01-04
Last modified:  2011-06-04

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Chemical Details

Formal Charge1
Atom Count62
Chiral Atom Count0
Bond Count61
Aromatic Bond Count0
2D diagram of 16A

Chemical Component Summary

NameCETYL-TRIMETHYL-AMMONIUM
Systematic Name (OpenEye OEToolkits)hexadecyl-trimethyl-azanium
FormulaC19 H42 N
Molecular Weight284.543
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04C(CCCC[N+](C)(C)C)CCCCCCCCCCC
SMILESCACTVS3.341CCCCCCCCCCCCCCCC[N+](C)(C)C
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCCCCCC[N+](C)(C)C
Canonical SMILESCACTVS3.341 CCCCCCCCCCCCCCCC[N+](C)(C)C
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCCCCCCCCCCCC[N+](C)(C)C
InChIInChI1.03 InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1
InChIKeyInChI1.03 RLGQACBPNDBWTB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB01718 
NameCetrimonium
Groups approved
DescriptionCetrimonium is a quaternary ammonium cation whose salts are used as antiseptics.
Synonyms
  • Cetrimonium carboxydecyl PEG-8 dimethicone
  • Trimethylhexadecylammonium
  • Cetrimonium bromide
  • Cetyltrimethylammonium cation
  • Cetyltrimethylammonium
Brand Names
  • Resdan Dandruff Treatment Liquid 1%
  • Savlon Crm 0.5%
  • Dr. Zheng bacteriostatic solution
  • Xylonor Spray
  • Savlodil
Categories
  • Amines
  • Anti-Infective Agents
  • Anti-Infective Agents, Local
  • Antiseptics and Disinfectants
  • Cetrimonium Compounds
ATC-Code
  • D08AJ04
  • D11AC01
  • R02AA17
  • D08AJ02
CAS number6899-10-1

Drug Targets

NameTarget SequencePharmacological ActionActions
Cyclopropane mycolic acid synthase 1MPDELKPHFANVQAHYDLSDDFFRLFLDPTQTYSCAYFERDDMTLQEAQI...unknown
Cyclopropane mycolic acid synthase MmaA2MVNDLTPHFEDVQAHYDLSDDFFRLFLDPTQTYSCAHFEREDMTLEEAQI...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 2681
ChEMBL CHEMBL1183605
ChEBI CHEBI:39561