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α-Keto-γ-(methylthio)butyric acid sodium salt

α-Keto-γ-(methylthio)butyric acid sodium salt - CAS 51828-97-8

Catalog:	BB027618
Product Name:	α-Keto-γ-(methylthio)butyric acid sodium salt
CAS:	51828-97-8
Synonyms:	sodium;4-methylsulfanyl-2-oxobutanoate

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Computed Properties

IUPAC Name:	sodium;4-methylsulfanyl-2-oxobutanoate
Description:	4-Methylsulfanyl-2-oxobutanoic Acid Sodium Salt can be used to treat or prevent viral diseases.
Molecular Weight:	170.16
Molecular Formula:	C5H7NaO3S
Canonical SMILES:	CSCCC(=O)C(=O)[O-].[Na+]
InChI:	InChI=1S/C5H8O3S.Na/c1-9-3-2-4(6)5(7)8;/h2-3H2,1H3,(H,7,8);/q;+1/p-1
InChI Key:	IFSCKRWNXKWTLR-UHFFFAOYSA-M
Purity:	≥ 97 %
Solubility:	soluble in water and white petrolatum
Appearance:	White powder
MDL:	MFCD00010511
LogP:	-0.94150

Publication Number	Title	Priority Date
CN-110632264-A	Selenium-rich fruit and vegetable finished product sampling detection device	20191029
CN-211263418-U	Selenium-rich fruit and vegetable finished product sampling detection device	20191029
WO-2020208050-A1	Cell culture media comprising keto acids	20190411
TW-202104587-A	Cell culture media comprising keto acids	20190411
WO-2020018911-A1	Nutritional compositions for enhancement of muscle performance	20180720

PMID	Publication Date	Title	Journal
21303439	20110301	Modulating effects of acepromazine on the reactive oxygen species production by stimulated equine neutrophils	Veterinary anaesthesia and analgesia
22207886	20110101	Production of free radicals and oxygen consumption by primary equine endothelial cells during anoxia-reoxygenation	The open biochemistry journal
19328559	20090815	Activation of equine neutrophils by phorbol myristate acetate or N-formyl-methionyl-leucyl-phenylalanine induces a different response in reactive oxygen species production and release of active myeloperoxidase	Veterinary immunology and immunopathology
19535471	20090801	Truffles regulate plant root morphogenesis via the production of auxin and ethylene	Plant physiology
17995748	20070601	Simultaneous determination of ketoacids and dicarbonyl compounds, key Maillard intermediates on the generation of aged wine aroma	Journal of food science

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.00135954
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	170.00135954
Rotatable Bond Count:	4
Topological Polar Surface Area:	82.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0