Piperidolate hydrochloride - ≥97% , CAS No.129-77-1

CAS: 129-77-1 Cat. No.: P333139 分子式: C₂₁H₂₅NO₂・HCl 分子量: 359.89 EC番号: 204-964-5 PubChem CID: 8520

グレード＆純度 ≥97%

Synonyms

MS-25678 | D01165 | PIPERIDOLATE HYDROCHLORIDE [WHO-DD] | 3-PIPERIDINOL, 1-ETHYL-, DIPHENYLACETATE (ESTER), HYDROCHLORIDE | F85203 | Piperidolate hydrochloride [JAN] | SPECTRUM1502197 | Acetic acid, 1-ethyl-3-piperidyl ester hydrochloride | Piperidolate h

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Piperidolate hydrochloride is an antimuscarinic, could restrain the abnormal activity caused by acetylcholine. inhibits intestinal cramp induced by acetylcholine (rats and dogs).

仕様

同義語

MS-25678 | D01165 | PIPERIDOLATE HYDROCHLORIDE [WHO-DD] | 3-PIPERIDINOL, 1-ETHYL-, DIPHENYLACETATE (ESTER), HYDROCHLORIDE | F85203 | Piperidolate hydrochloride [JAN] | SPECTRUM1502197 | Acetic acid, 1-ethyl-3-piperidyl ester hydrochloride | Piperidolate h

仕様と純度

≥97%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

パブケム・シド

528773786

カノニカル・スマイル

CCN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl

IUPAC Name

(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloride

InChIKey

RBGWCEWDAHDPEH-UHFFFAOYSA-N

INCHI

1S/C21H25NO2.ClH/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19-20H,2,9,14-16H2,1H3;1H

異性体SMILES

CCN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl

WGKドイツ

3

代替CAS番号

82-98-4

PubChem CID

8520

分子量

359.89

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Piperidines Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Piperidine - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrochloride - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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.

DOI: 10.1186/s13321-016-0174-y

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作用メカニズム

化学的性質と物理的性質

• 分子量: 359.900 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 359.165 Da
• Monoisotopic Mass: 359.165 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 367.000
• 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

XLogP3