ET

ETHIDIUM

Created:	1999-07-08
Last modified:	2011-06-04

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21 entries where ET is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	44
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	23

2D diagram of ET

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Chemical Component Summary
Name	ETHIDIUM
Systematic Name (OpenEye OEToolkits)	5-ethyl-6-phenyl-phenanthridin-5-ium-3,8-diamine
Formula	C₂₁ H₂₀ N₃
Molecular Weight	314.404
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	c4c3c1ccc(cc1c(c2ccccc2)[n+](c3cc(N)c4)CC)N
SMILES	CACTVS	3.341	CC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4
SMILES	OpenEye OEToolkits	1.5.0	CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N
Canonical SMILES	CACTVS	3.341	CC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N
InChI	InChI	1.03	InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1
InChIKey	InChI	1.03	QTANTQQOYSUMLC-UHFFFAOYSA-O

Drug Info: DrugBank

DrugBank ID	DB17031
Name	Homidium
Groups	investigational
Description	Homidium is a group II compound with trypanocidal effects.[A253017]
Synonyms	Homidium bromide 2,7-diamino-10-ethyl-9-phenylphenanthridinium Homidium Ethidium Babidium 2,7-diamino-9-phenyl-10-ethylphenanthridinium Homidium ion 3,8-diamino-5-ethyl-6-phenylphenanthridinium Homidium cation Novidium
Categories	Anti-Infective Agents Anticholinergic Agents Antiparasitic Agents Antiprotozoals Cholinergic Agents Coloring Agents Compounds used in a research, industrial, or household setting Enzyme Inhibitors Fluorescent Dyes Heterocyclic Compounds, Fused-Ring Indicators and Reagents Laboratory Chemicals Luminescent Agents Neurotransmitter Agents Nicotinic Antagonists Phenanthridines Trypanocidal Agents
CAS number	3546-21-2

Related Resource References

Resource Name	Reference
PubChem	101633772, 3624
ChEMBL	CHEMBL48166
ChEBI	CHEBI:42478
CCDC/CSD	ETHIDB, LEVKAC, GEMWOO

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.