CLU

2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE

Created:2007-05-01
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count0
Bond Count24
Aromatic Bond Count6
2D diagram of CLU
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Chemical Component Summary

Name2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE
SynonymsCLONIDINE
Systematic Name (OpenEye OEToolkits)N-(2,6-dichlorophenyl)imidazolidin-2-imine
FormulaC9 H9 Cl2 N3
Molecular Weight230.094
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc2c(\N=C1/NCCN1)c(Cl)ccc2
SMILESCACTVS3.341Clc1cccc(Cl)c1N=C2NCCN2
SMILESOpenEye OEToolkits1.5.0c1cc(c(c(c1)Cl)N=C2NCCN2)Cl
Canonical SMILESCACTVS3.341 Clc1cccc(Cl)c1N=C2NCCN2
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(c(c(c1)Cl)N=C2NCCN2)Cl
InChIInChI1.03 InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
InChIKeyInChI1.03 GJSURZIOUXUGAL-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB00575 
NameClonidine
Groups
  • approved
  • investigational
DescriptionClonidine is an imidazole derivate that acts as an agonist of alpha-2 adrenoceptors.[A180559] This activity is useful for the treatment of hypertension, severe pain, and ADHD.[L7237,L54536,L7240,L7243,L7246] Clonidine was granted FDA approval on 3 September 1974.[L7237]
Synonyms
  • Chlofazoline
  • Clonidina
  • 2-((2,6-Dichlorophenyl)imino)imidazolidine
  • Clonidinum
  • Clonidine hydrochloride
Brand Names
  • Catapres
  • Nexiclon XR
  • Javadin
  • Teva-clonidine
  • Nexiclon
IndicationClonidine tablets, oral solution and transdermal systems are indicated for the treatment of hypertension alone or in combination with other medications.[L7237,L7240, L54536] A clonidine injection is indicated for use with opiates in the treatment of severe cancer pain where opiates alone are insufficient.[L7243] An extended-release tablet of clonidine is indicated for the treatment of ADHD, either alone or in combination with other medications.[L7246] Clonidine is also used for the diagnosis of pheochromocytoma,[A180565] treatment of nicotine dependance,[A180568] and opiate withdrawal.[A180571] Additionally, clonidine is also indicated for the treatment of Attention Deficit Hyperactivity Disorder (ADHD) as a monotherapy or as an adjunctive therapy to central nervous system (CNS) stimulant medications in pediatric patients 6 years of age and older.[L52295,L52300]
Categories
  • Adrenergic Agents
  • Adrenergic Agonists
  • Adrenergic alpha-1 Receptor Agonists
  • Adrenergic alpha-2 Receptor Agonists
  • Adrenergic alpha-Agonists
ATC-Code
  • S01EA04
  • C02LC01
  • C02AC01
  • N02CX02
  • C02LC51
CAS number4205-90-7

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Alpha-2B adrenergic receptorMDHQDPYSVQATAAIAAAITFLILFTIFGNALVILAVLTSRSLRAPQNLF...unknownagonist
Alpha-2C adrenergic receptorMASPALAAALAVAAAAGPNASGAGERGSGGVANASGASWGPPRGQYSAGA...unknownagonist
Alpha-2A adrenergic receptorMFRQEQPLAEGSFAPMGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLT...unknownagonist
Amine oxidase [copper-containing] 3MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQP...unknowninhibitor
Alpha-1A adrenergic receptorMVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILS...unknownagonist
View More
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 CHEMBL134
PubChem 2803
ChEMBL CHEMBL134
ChEBI CHEBI:3757, CHEBI:46632
CCDC/CSD CLONDC11, CLONDC01, CLONDC10, IXUCIQ