Clidinium bromide - 10mM in DMSO , Muscarinic acetylcholine receptor M1 antagonist, CAS No.3485-62-9, Muscarinic acetylcholine receptor M1 antagonist

CAS: 3485-62-9 Cat. No.: C423544 分子式: C₂₂H₂₆BrNO₃ 分子量: 432.35 EC番号: 222-471-3

GRADE & PURITY 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

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

Specifications

同義語

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

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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。

アクションタイプ

ANTAGONIST

作用メカニズム

Muscarinic acetylcholine receptor M1 antagonist

名前と識別子

• パブケム・シド: 528770035
• カノニカル・スマイル: 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
• 異性体SMILES: C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-]
• WGKドイツ: 3
• RTECS: VD6125000
• 代替CAS番号: 7020-55-5
• 分子量: 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
    • 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: 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
• 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: 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