Sodium 2-(4-methoxyphenoxy)propionate
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Basic Info
Common Name | Sodium 2-(4-methoxyphenoxy)propionate(F11624) |
2D Structure | |
Description | CASrn in Register refers to the racemate. |
FRCD ID | F11624 |
CAS Number | 13794-15-5 |
PubChem CID | 23670520 |
Formula | C10H11NaO4 |
IUPAC Name | sodium;2-(4-methoxyphenoxy)propanoate |
InChI Key | SKORRGYRKQDXRS-UHFFFAOYSA-M |
InChI | InChI=1S/C10H12O4.Na/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9;/h3-7H,1-2H3,(H,11,12);/q;+1/p-1 |
Canonical SMILES | CC(C(=O)[O-])OC1=CC=C(C=C1)OC.[Na+] |
Isomeric SMILES | CC(C(=O)[O-])OC1=CC=C(C=C1)OC.[Na+] |
Synonyms | Sodium 2-(4-methoxyphenoxy)propanoate lactisole 150436-68-3 150767-88-7 Propanoic acid,2-(4-methoxyphenoxy)-, sodium salt (1:1) Sodium 2-(4-methoxyphenoxy)propanoic acid Envision FEMA No. 3773 2-(4-methoxyphenoxye Propanoic acid, 2-(4-methoxyphenoxy)-, sodium salt |
Classifies | Predicted: Pesticide |
Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
Kingdom | Organic compounds |
Superclass | Benzenoids |
Class | Benzene and substituted derivatives |
Subclass | 2-phenoxypropionic acids |
Intermediate Tree Nodes | Not available |
Direct Parent | Alkyloxyphenoxypropionic acids |
Alternative Parents | |
Molecular Framework | Aromatic homomonocyclic compounds |
Substituents | Alkyloxyphenoxypropionic acid - Phenoxyacetate - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic sodium salt - Organic salt - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound |
Description | This compound belongs to the class of organic compounds known as alkyloxyphenoxypropionic acids. These are aromatic compounds containing a phenoxypropionic acid that is para-substituted with an alkyl group. |
Properties
Property Name | Property Value |
---|---|
Molecular Weight | 218.184 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 4 |
Complexity | 190 |
Monoisotopic Mass | 218.056 |
Exact Mass | 218.056 |
Formal Charge | 0 |
Heavy Atom Count | 15 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Isotope Atom Count | 0 |
Covalently-Bonded Unit Count | 2 |
References
Title | Journal | Date | Pubmed ID |
---|---|---|---|
Human Sweet Receptor T1R3 is Functional in Human Gastric Parietal Tumor Cells(HGT-1) and Modulates Cyclamate and Acesulfame K-Induced Mechanisms of GastricAcid Secretion. | J Agric Food Chem | 2018 May 16 | 29665689 |
Differential modulation of the lactisole 'Sweet Water Taste' by sweeteners. | PLoS One | 2017 Jul 10 | 28700634 |
Modulation of sweet taste by umami compounds via sweet taste receptor subunithT1R2. | PLoS One | 2015 Apr 8 | 25853419 |
Molecular mechanisms for sweet-suppressing effect of gymnemic acids. | J Biol Chem | 2014 Sep 12 | 25056955 |
Dietary lipids and sweeteners regulate glucagon-like peptide-2 secretion. | Am J Physiol Gastrointest Liver Physiol | 2013 Apr 15 | 23370677 |
Functional characterization of the heterodimeric sweet taste receptor T1R2 andT1R3 from a New World monkey species (squirrel monkey) and its response tosweet-tasting proteins. | Biochem Biophys Res Commun | 2012 Oct 19 | 23000410 |
The role of the gut sweet taste receptor in regulating GLP-1, PYY, and CCKrelease in humans. | Am J Physiol Endocrinol Metab | 2011 Aug | 21540445 |
Interactions of the sweet-tasting proteins thaumatin and lysozyme with the human sweet-taste receptor. | J Agric Food Chem | 2009 Jul 8 | 19489607 |
The sweet taste quality is linked to a cluster of taste fibers in primates:lactisole diminishes preference and responses to sweet in S fibers (sweet best)chorda tympani fibers of M. fascicularis monkey. | BMC Physiol | 2009 Feb 18 | 19224647 |
The liaison of sweet and savory. | Chem Senses | 2006 Mar | 16384922 |
Neoculin, a taste-modifying protein, is recognized by human sweet taste receptor. | Neuroreport | 2006 Aug 21 | 16951562 |
The heterodimeric sweet taste receptor has multiple potential ligand bindingsites. | Curr Pharm Des | 2006 | 17168764 |
Valine 738 and lysine 735 in the fifth transmembrane domain of rTas1r3 mediateinsensitivity towards lactisole of the rat sweet taste receptor. | BMC Neurosci | 2005 Apr 7 | 15817126 |
Bitter taste receptors for saccharin and acesulfame K. | J Neurosci | 2004 Nov 10 | 15537898 |