CZX

4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole

Created:2019-05-24
Last modified:  2020-04-15

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count1
Bond Count32
Aromatic Bond Count11
2D diagram of CZX

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Chemical Component Summary

Name4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole
Systematic Name (OpenEye OEToolkits)4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole
FormulaC13 H16 N2
Molecular Weight200.28
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385C[CH](c1c[nH]cn1)c2cccc(C)c2C
SMILESOpenEye OEToolkits2.0.7Cc1cccc(c1C)C(C)c2c[nH]cn2
Canonical SMILESCACTVS3.385 C[C@H](c1c[nH]cn1)c2cccc(C)c2C
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1cccc(c1C)[C@H](C)c2c[nH]cn2
InChIInChI1.03 InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
InChIKeyInChI1.03 CUHVIMMYOGQXCV-NSHDSACASA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB00633 
NameDexmedetomidine
Groups
  • approved
  • vet_approved
DescriptionAn agonist of receptors, adrenergic alpha-2 that is used in veterinary medicine for its analgesic and sedative properties. It is the racemate of dexmedetomidine.
Synonyms
  • Dexmedetomidine
  • Dexmedetomidina
  • Dexmédétomidine
  • Dexmedetomidine hydrochloride
  • Dexmedetomidinum
Brand Names
  • Dexmedetomidine hydrochloride
  • Dexmedetomidine Accord
  • Precedex Dexmedetomidine HCI Chloride
  • Dexmedetomidine Hydrochloride in 0.9% Sodium Chloride
  • Dexmedetomidine Hydrochloride In 0.9% Sodium Chloride
IndicationAdministered intravenously, dexmedetomidine is indicated for the sedation of initially intubated and mechanically ventilated patients during treatment in intensive care settings, and for the sedation of non-intubated patients prior to and/or during surgery and other procedures.[L41374] It is also available as a buccally- or sublingually-administered dissolvable film for the acute treatment of agitation associated with schizophrenia or bipolar I or II disorder.[L41379]
Categories
  • Adrenergic Agents
  • Adrenergic Agonists
  • Adrenergic alpha-2 Receptor Agonists
  • Adrenergic alpha-Agonists
  • Agents producing tachycardia
ATC-CodeN05CM18
CAS number113775-47-6

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Alpha-2A adrenergic receptorMFRQEQPLAEGSFAPMGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLT...unknownagonist
Cytochrome P450 2E1MSALGVTVALLVWAAFLLLVSMWRQVHSSWNLPPGPFPLPIIGNLFQLEL...unknownsubstrate
Cytochrome P450 1A2MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPL...unknowninhibitor
Cytochrome P450 1A1MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIG...unknowninhibitor
Cytochrome P450 2D6MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVD...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
Pharos CHEMBL778
PubChem 5311068
ChEMBL CHEMBL778
ChEBI CHEBI:4466
CCDC/CSD LADTIT