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· · COA & SDS Disponibile per ogni prodotto · Spedizione lo stesso giorno su articoli in magazzino Beperidium iodide - ≥99% , CAS No.86434-57-3
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
Panoramica 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)
Specifiche Sinonimi
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
Meccanismi biochimici e fisiologici
Beperidium iodide shows a competitive antagonistic effect against acetylcholine receptor with a pA2 of 7.93.
Condizioni di conservazione di stoccaggio
Store at 2-8°C,Protected from light,Desiccated
Spedito in
Wet ice
Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.
Nomi e identificatori Sorrisi canonici
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
Isomeri SMILES
CC[N+]1(CCC(CC1)OC(=O)C(C2=NOC3=CC=CC=C32)N4CCCCCC4)C.[I-]
Dati avanzati 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 Descrizione 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.
Struttura 3D Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Solubilità DMSO : ≥ 100 mg/mL (189.60 mM) Peso molecolare 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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