DDQ

DECYLAMINE-N,N-DIMETHYL-N-OXIDE

Created: 1999-10-01
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count40
Aromatic Bond Count0
2D diagram of DDQ
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Chemical Component Summary

NameDECYLAMINE-N,N-DIMETHYL-N-OXIDE
Systematic Name (OpenEye OEToolkits)N,N-dimethyldecan-1-amine oxide
FormulaC12 H27 N O
Molecular Weight201.349
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04[O-][N+](CCCCCCCCCC)(C)C
SMILESCACTVS3.341CCCCCCCCCC[N+](C)(C)[O-]
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCC[N+](C)(C)[O-]
Canonical SMILESCACTVS3.341 CCCCCCCCCC[N+](C)(C)[O-]
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCCCCCC[N+](C)(C)[O-]
InChIInChI1.03 InChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4-12H2,1-3H3
InChIKeyInChI1.03 ZRKZFNZPJKEWPC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02613 
NameCapric dimethyl amine oxide
Groups experimental
Synonyms
  • N,N-dimethyldecylamine N-oxide
  • Decylamine oxide
  • Decyl dimethyl amine oxide
  • N,N-Dimethyldecylamine oxide
  • N,N-Dimethyl-1-decanamine-N-oxide
CAS number2605-79-0

Drug Targets

NameTarget SequencePharmacological ActionActions
Pancreatic lipase-related protein 2MLPPWTLGLLLLATVRGKEVCYGQLGCFSDEKPWAGTLQRPVKLLPWSPE...unknown
Ferrichrome-iron receptorMARSKTAQPKHSLRKIAVVVATAVSGMSVYAQAAVEPKEDTITVTAAPAP...unknown
Dihydroorotate dehydrogenase (quinone), mitochondrialMAWRHLKKRAQDAVIILGGGGLLFASYLMATGDERFYAEHLMPTLQGLLD...unknown
AutolysinMEINVSKLRTDLPQVGVQPYRQVHAHSTGNPHSTVQNEADYHWRKDPELG...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 62452
ChEMBL CHEMBL1232157
ChEBI CHEBI:41899