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

CAS: 129-77-1 Cat. No.: P333139 Formule: C₂₁H₂₅NO₂・HCl Poids moléculaire: 359.89 Numéro CE: 204-964-5 PubChem CID: 8520

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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

Spécifications

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

528773786

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

CAS alternatif

82-98-4

PubChem CID

8520

Poids moléculaire

359.89

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 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