≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
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)
| カノニカル・スマイル | 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 |
| 異性体SMILES | CC[N+]1(CCC(CC1)OC(=O)C(C2=NOC3=CC=CC=C32)N4CCCCCC4)C.[I-] |
| PubChem CID | 72012 |
| 分子量 | 526.49 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| 分類 | 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 |
| 説明 | 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 |
| 溶解度 | DMSO : ≥ 100 mg/mL (189.60 mM) |
|---|---|
| 分子量 | 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 |
