ECN

1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE

Created:	2007-03-12
Last modified:	2020-06-05

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6 entries where ECN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	1
Bond Count	41
Aromatic Bond Count	17

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Chemical Component Summary
Name	1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE
Synonyms	S-Econazole
Systematic Name (OpenEye OEToolkits)	1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
Formula	C₁₈ H₁₅ Cl₃ N₂ O
Molecular Weight	381.684
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccc(c(Cl)c1)C(OCc2ccc(Cl)cc2)Cn3ccnc3
SMILES	CACTVS	3.370	Clc1ccc(CO[CH](Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl
Canonical SMILES	CACTVS	3.370	Clc1ccc(CO[C@H](Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl
InChI	InChI	1.03	InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m1/s1
InChIKey	InChI	1.03	LEZWWPYKPKIXLL-GOSISDBHSA-N

Drug Info: DrugBank

DrugBank ID	DB07705
Name	(S)-econazole
Groups	experimental
Synonyms	(S)-econazole (+)-Econazole
CAS number	73094-37-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cytochrome P450 130	MTSVMSHEFQLATAETWPNPWPMYRALRDHDPVHHVVPPQRPEYDYYVLS...	unknown
Lanosterol 14-alpha demethylase	MLLLGLLQAGGSVLGQAMEKVTGGNLLSMLLIACAFTLSLVYLIRLAAGH...	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