Clidinium bromide - analytical standard , Muscarinic acetylcholine receptor M1 antagonist, CAS No.3485-62-9, Muscarinic acetylcholine receptor M1 antagonist

CAS: 3485-62-9 Cat. No.: C124579 Formule: C₂₂H₂₆BrNO₃ Poids moléculaire: 432.35 Numéro CE: 222-471-3

GRADE & PURITY Analytical standard

Synonyms

MLS000028560 | Quarzan | CLIDINIUM BROMIDE [USAN] | Ro-23773 | SCHEMBL99017 | SR-01000000078-4 | Clidinii bromidum (INN-Latin) | CCG-38925 | Clidinium bromide (USP/INN) | MLS001148169 | NCGC00016630-01 | HMS3886O06 | KS-1295 | D00716 | HMS2097F05 | HY-B11

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Anticholinergic reagent. Used for anti-spasm. An anticholinergic. Used as an antispasmodic.

Specifications

Synonymes

MLS000028560 | Quarzan | CLIDINIUM BROMIDE [USAN] | Ro-23773 | SCHEMBL99017 | SR-01000000078-4 | Clidinii bromidum (INN-Latin) | CCG-38925 | Clidinium bromide (USP/INN) | MLS001148169 | NCGC00016630-01 | HMS3886O06 | KS-1295 | D00716 | HMS2097F05 | HY-B11

Spécifications et pureté

analytical standard

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Analytical standard

Type d'action

ANTAGONIST

Mécanisme d'action

Muscarinic acetylcholine receptor M1 antagonist

Noms et identifiants

Pubchem Sid

528770036

Sourires canoniques

C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-]

IUPAC Name

(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;bromide

InChIKey

GKEGFOKQMZHVOW-UHFFFAOYSA-M

INCHI

1S/C22H26NO3.BrH/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,20,25H,12-16H2,1H3;1H/q+1;/p-1

Isomères SMILES

C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-]

WGK Allemagne

3

RTECS

VD6125000

CAS alternatif

7020-55-5

Poids moléculaire

432.35

Reaxy-Rn

4117570

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4117570&ln=

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: Quinuclidines Piperidines Tetraalkylammonium salts Tertiary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diphenylmethane - Quinuclidine - Piperidine - Quaternary ammonium salt - Tertiary alcohol - Tetraalkylammonium salt - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Aromatic alcohol - Amine - Organopnictogen compound - Alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic nitrogen compound - Organic salt - Organic bromide salt - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic 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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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 432.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 431.11 Da
• Monoisotopic Mass: 431.11 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 482.000
• 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