EMT

2-(ETHYLMERCURI-THIO)-BENZOIC ACID

Created:	2001-11-26
Last modified:	2014-09-12

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5 entries where EMT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	6

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Chemical Component Summary
Name	2-(ETHYLMERCURI-THIO)-BENZOIC ACID
Systematic Name (OpenEye OEToolkits)	(2-carboxyphenyl)sulfanyl-ethyl-mercury
Formula	C₉ H₁₀ Hg O₂ S
Molecular Weight	382.83
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c1ccccc1S[Hg]CC
SMILES	CACTVS	3.341	CC[Hg]Sc1ccccc1C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC[Hg]Sc1ccccc1C(=O)O
Canonical SMILES	CACTVS	3.341	CC[Hg]Sc1ccccc1C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC[Hg]Sc1ccccc1C(=O)O
InChI	InChI	1.03	InChI=1S/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10;1-2;/h1-4,10H,(H,8,9);1H2,2H3;/q;;+1/p-1
InChIKey	InChI	1.03	HXQVQGWHFRNKMS-UHFFFAOYSA-M

Drug Info: DrugBank

DrugBank ID	DB02731
Name	Ethylmercurithiosalicylic acid
Groups	experimental
Description	Ethylmercurithiosalicylic acid is a topical antiseptic used on skin and mucous membranes. It is also used as a preservative in pharmaceuticals.
Synonyms	2-(ethylmercuriothio)benzoic acid Ethylmercurithiosalicylic acid 2-(ethylmercuri-thio)-benzoic acid [(o-carboxyphenyl)thio]ethylmercury
CAS number	148-61-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial	MAALKLLSSGLRLCASARGSGATWYKGCVCSFSTSAHRHTKFYTDPVEAV...	unknown
Multi-sensor signal transduction histidine kinase	MVPERLKQIKGIRILESEDEIPQEGFTCRFGKHTVVANDEESFEIVRLYK...	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