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· · COA & SDS Disponível para todos os produtos · Envio no mesmo dia em itens em estoque Beperidium iodide - ≥99% , CAS No.86434-57-3
Disponível para encomenda
Synonyms
DTXSID001006843 | SX 810 | SX-810 | AKOS040732579 | 4-{[(Azepan-1-yl)(1,2-benzoxazol-3-yl)acetyl]oxy}-1-ethyl-1-methylpiperidin-1-ium iodide | MS-29758 | (1-ethyl-1-methylpiperidin-1-ium-4-yl) 2-(azepan-1-yl)-2-(1,2-benzoxazol-3-yl)acetate;iodide | HY-100
Storage
Store at 2-8°C,Protected from light,Desiccated
Visão geral Beperidium iodide shows a competitive antagonistic effect against acetylcholine receptor with a pA2 of 7.93.
Form:Solid
IC50& Target:pA2: 7.93 (Acetylcholine receptor)
Especificações Sinónimos
DTXSID001006843 | SX 810 | SX-810 | AKOS040732579 | 4-{[(Azepan-1-yl)(1,2-benzoxazol-3-yl)acetyl]oxy}-1-ethyl-1-methylpiperidin-1-ium iodide | MS-29758 | (1-ethyl-1-methylpiperidin-1-ium-4-yl) 2-(azepan-1-yl)-2-(1,2-benzoxazol-3-yl)acetate;iodide | HY-100
Especificações e pureza
≥99%
Mecanismos bioquímicos e fisiológicos
Beperidium iodide shows a competitive antagonistic effect against acetylcholine receptor with a pA2 of 7.93.
Condições de armazenamento de armazenamento
Store at 2-8°C,Protected from light,Desiccated
Enviado em
Wet ice
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Nomes e identificadores Sorrisos canónicos
CC[N+]1(CCC(CC1)OC(=O)C(C2=NOC3=CC=CC=C32)N4CCCCCC4)C.[I-]
IUPAC Name
(1-ethyl-1-methylpiperidin-1-ium-4-yl) 2-(azepan-1-yl)-2-(1,2-benzoxazol-3-yl)acetate;iodide
InChIKey
XEHKKWZHSSPBNZ-UHFFFAOYSA-M
INCHI
1S/C23H34N3O3.HI/c1-3-26(2)16-12-18(13-17-26)28-23(27)22(25-14-8-4-5-9-15-25)21-19-10-6-7-11-20(19)29-24-21;/h6-7,10-11,18,22H,3-5,8-9,12-17H2,1-2H3;1H/q+1;/p-1
SMILES isoméricas
CC[N+]1(CCC(CC1)OC(=O)C(C2=NOC3=CC=CC=C32)N4CCCCCC4)C.[I-]
Dados avançados Taxonomic Classification Kingdom Organic compounds Superclass Organic acids and derivatives Classe Carboxylic acids and derivatives Subclass Amino acids, peptides, and analogues Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives Direct Parent Alpha amino acid esters Alternative Parents Benzisoxazoles Aralkylamines Azepanes Piperidines Benzenoids Tetraalkylammonium salts Heteroaromatic compounds Isoxazoles Trialkylamines Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic iodide salts Organic oxides Organic zwitterions Molecular Framework Aromatic heteropolycyclic compounds Substituents Alpha-amino acid ester - Benzisoxazole - Azepane - Aralkylamine - Piperidine - Benzenoid - Azole - Tetraalkylammonium salt - Isoxazole - Heteroaromatic compound - Quaternary ammonium salt - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic zwitterion - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic iodide salt - Organic salt - Aromatic heteropolycyclic compound Descrição This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. 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.
Estrutura 3D Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Solubilidade DMSO : ≥ 100 mg/mL (189.60 mM) Peso molecular 527.400 g/mol XLogP3 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 6 Exact Mass 527.164 Da Monoisotopic Mass 527.164 Da Topological Polar Surface Area 55.600 Ų Heavy Atom Count 30 Formal Charge 0 Complexity 541.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 2
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