10A

DIDECYL-DIMETHYL-AMMONIUM

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

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Chemical Details

Formal Charge1
Atom Count71
Chiral Atom Count0
Bond Count70
Aromatic Bond Count0
2D diagram of 10A

Chemical Component Summary

NameDIDECYL-DIMETHYL-AMMONIUM
Systematic Name (OpenEye OEToolkits)didecyl-dimethyl-azanium
FormulaC22 H48 N
Molecular Weight326.623
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04C(CCCCC[N+](C)(CCCCCCCCCC)C)CCCC
SMILESCACTVS3.341CCCCCCCCCC[N+](C)(C)CCCCCCCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCC[N+](C)(C)CCCCCCCCCC
Canonical SMILESCACTVS3.341 CCCCCCCCCC[N+](C)(C)CCCCCCCCCC
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCCCCCC[N+](C)(C)CCCCCCCCCC
InChIInChI1.03 InChI=1S/C22H48N/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2/h5-22H2,1-4H3/q+1
InChIKeyInChI1.03 JGFDZZLUDWMUQH-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB04221 
NameDidecyldimethylammonium
Groups
  • approved
  • experimental
Synonyms
  • Didecyldimonium
  • Didecyldimethylammonium cation
  • Didecyldimethylammonium chloride
  • Didecyldimethylammonium
  • Didecyl-dimethyl-ammonium
Brand Names
  • Alcohol Wet Tissue
  • Surface Disinfectant
  • Beauty New Hand Sanitizer
  • S D S
  • Keep Clean Surface Cleaning Wipes
Categories
  • Amines
  • Ammonium Compounds
  • Antiseptics and Disinfectants
  • Dermatologicals
  • Nitrogen Compounds
ATC-CodeD08AJ06
CAS number20256-56-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Phospholipid membrane-unknown
Cyclopropane mycolic acid synthase 2MTSQGDTTSGTQLKPPVEAVRSHYDKSNEFFKLWLDPSMTYSCAYFERPD...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 16958
ChEMBL CHEMBL1182247