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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 Rafabegron , Beta-3 adrenergic receptor agonist, CAS No.244081-42-3, Beta-3 adrenergic receptor agonist
Synonyms
Rafabegron | Rafabegron [INN] | AJ-9677 | TAK-677 | AD-9677 | LN3E1Q0SU2 | 2-((3-((R)-2-(((R)-2-(3-Chlorophenyl)-2-hydroxyethyl)amino)propyl)-1H-indol-7-yl)oxy)acetic acid | UNII-LN3E1Q0SU2 | 3-CP-2-HE-API-AA | TAK 677 | (3-((2R)-2-((2R)-2-(3-Chlorophenyl
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Why this grade 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 同義語
Rafabegron | Rafabegron [INN] | AJ-9677 | TAK-677 | AD-9677 | LN3E1Q0SU2 | 2-((3-((R)-2-(((R)-2-(3-Chlorophenyl)-2-hydroxyethyl)amino)propyl)-1H-indol-7-yl)oxy)acetic acid | UNII-LN3E1Q0SU2 | 3-CP-2-HE-API-AA | TAK 677 | (3-((2R)-2-((2R)-2-(3-Chlorophenyl
作用メカニズム
Beta-3 adrenergic receptor agonist
製品の性質 名前と識別子 カノニカル・スマイル CC(CC1=CNC2=C1C=CC=C2OCC(=O)O)NCC(C3=CC(=CC=C3)Cl)O IUPAC Name 2-[[3-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]acetic acid InChIKey FHEYFIGWYQJVDR-ACJLOTCBSA-N INCHI 1S/C21H23ClN2O4/c1-13(23-11-18(25)14-4-2-5-16(22)9-14)8-15-10-24-21-17(15)6-3-7-19(21)28-12-20(26)27/h2-7,9-10,13,18,23-25H,8,11-12H2,1H3,(H,26,27)/t13-,18+/m1/s1 異性体SMILES C[C@H](CC1=CNC2=C1C=CC=C2OCC(=O)O)NC[C@@H](C3=CC(=CC=C3)Cl)O PubChem CID 5493324 分子量 402.9
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 Benzenoids 分類 Benzene and substituted derivatives Subclass Phenoxyacetic acid derivatives Intermediate Tree Nodes Not available Direct Parent Phenoxyacetic acid derivatives Alternative Parents 3-alkylindoles Phenol ethers Alkyl aryl ethers Chlorobenzenes Aralkylamines Substituted pyrroles Aryl chlorides Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Aromatic alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Phenoxyacetate - 3-alkylindole - Indole or derivatives - Indole - Phenol ether - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aralkylamine - Aryl chloride - Substituted pyrrole - Aryl halide - Pyrrole - Heteroaromatic compound - 1,2-aminoalcohol - Secondary alcohol - Amino acid or derivatives - Amino acid - Carboxylic acid - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Azacycle - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound 説明 This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative. 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.
3 D構造 関連ターゲット（人間） 作用メカニズム 証明書（CoA、COO、BSE/TSEと分析図） 化学的性質と物理的性質 分子量 402.900 g/mol XLogP3 1.100 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 9 Exact Mass 402.135 Da Monoisotopic Mass 402.135 Da Topological Polar Surface Area 94.600 Ų Heavy Atom Count 28 Formal Charge 0 Complexity 509.000 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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