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· · COA & SDS available for every product · Same-day shipping on in-stock items CL316243 - Moligand™ , Agonist of β 3-adrenoceptor, CAS No.183720-02-7, Agonist of β 3-adrenoceptor
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
CL 316243 | GTPL3462 | 5-[(2R)-2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}propyl]-2H-1,3-benzodioxole-2,2-dicarboxylic acid | UNII-52H8DB0TKX | 5-((2R)-2-(((2R)-2-(3-Chlorophenyl)-2-hydroxyethyl)amino)propyl)-1,3-benzodioxole-2,2-dicarboxylic acid |
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
CL 316243 | GTPL3462 | 5-[(2R)-2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}propyl]-2H-1, 3-benzodioxole-2, 2-dicarboxylic acid | UNII-52H8DB0TKX | 5-((2R)-2-(((2R)-2-(3-Chlorophenyl)-2-hydroxyethyl)amino)propyl)-1, 3-benzodioxole-2, 2-dicarboxylic acid |
Specifications & Purity
Moligand™
Mechanism of action
Agonist of β 3-adrenoceptor
Names and Identifiers Canonical Smiles CC(CC1=CC2=C(C=C1)OC(O2)(C(=O)O)C(=O)O)NCC(C3=CC(=CC=C3)Cl)O IUPAC Name 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid InChIKey JEDJMKTVUPSHFW-ABAIWWIYSA-N INCHI 1S/C20H20ClNO7/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27)/t11-,15+/m1/s1 Isomeric SMILES C[C@H](CC1=CC2=C(C=C1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](C3=CC(=CC=C3)Cl)O Alternate CAS 183720-02-7 PubChem CID 5486546 MeSH Entry Terms CL 316,243;CL 316243;CL-316,243;CL-316243;CL316,243;CL316243;disodium (R,R)-5-(2-((2-(3-chlorophenyl)-2-hydroxyethyl)-amino)propyl)-1,3-benzodioxole-2,3-dicarboxylate
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Benzodioxoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzodioxoles Alternative Parents Aralkylamines Ketals Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Secondary alcohols 1,2-aminoalcohols Amino acids Oxacyclic compounds Carboxylic acids Dialkylamines Carbonyl compounds Organic oxides Aromatic alcohols Organopnictogen compounds Hydrocarbon derivatives Organochlorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzodioxole - Chlorobenzene - Halobenzene - Ketal - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Amino acid - Amino acid or derivatives - Secondary alcohol - 1,2-aminoalcohol - Oxacycle - Secondary amine - Acetal - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Alcohol - Aromatic alcohol - Organooxygen compound - Amine - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 421.800 g/mol XLogP3 0.400 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 8 Exact Mass 421.093 Da Monoisotopic Mass 421.093 Da Topological Polar Surface Area 125.000 Ų Heavy Atom Count 29 Formal Charge 0 Complexity 589.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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