Methantheline bromide - Moligand™, ≥97% , Histamine H2 receptor antagonist, CAS No.53-46-3, Histamine H2 receptor antagonist

CAS: 53-46-3 Cat. No.: M338417 分子式: C₂₁H₂₆BrNO₃ 分子量: 420.34 EC番号: 200-176-0

GRADE & PURITY Moligand™, ≥97%

Synonyms

METHANTHELINIUM BROMIDE (MART.) | MTB 51 | Tox21_110320 | Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, xanthene-9-carboxylate | CAS-53-46-3 | Q27236434 | Bromuro de metantelinio | Bromuro de metantelinio (INN-Spanish) | HMS2230K17 | Methanthelinii b

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Methantheline Bromide is a synthetic spasmolytic used to relieve cramps or spasms of the stomach, bowel, and bladder. It is also useful for intestinal or gastric ulcers (peptic ulcer disease), intestinal problems, pancreatitis, gastritis, biliary dysmotility, pyloric or urinary problems.

Specifications

同義語

METHANTHELINIUM BROMIDE (MART.) | MTB 51 | Tox21_110320 | Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, xanthene-9-carboxylate | CAS-53-46-3 | Q27236434 | Bromuro de metantelinio | Bromuro de metantelinio (INN-Spanish) | HMS2230K17 | Methanthelinii b

仕様と純度

Moligand™, ≥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。

等級

Moligand™

アクションタイプ

ANTAGONIST

作用メカニズム

Histamine H2 receptor antagonist

純度

≥97%

名前と識別子

• パブケム・シド: 528773026
• カノニカル・スマイル: CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.[Br-]
• IUPAC Name: diethyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium;bromide
• InChIKey: PQMWYJDJHJQZDE-UHFFFAOYSA-M
• INCHI: 1S/C21H26NO3.BrH/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20;/h6-13,20H,4-5,14-15H2,1-3H3;1H/q+1;/p-1
• 異性体SMILES: CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.[Br-]
• RTECS: BP7632500
• 分子量: 420.34
• Reaxy-Rn: 3897811
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3897811&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: Diarylethers Benzenoids Tetraalkylammonium salts Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic zwitterions Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Diaryl ether - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Ether - Oxacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic bromide salt - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
• 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

• 溶解度: Soluble in water, and alcohol.
• 融点（°C）: 162-164° C
• 分子量: 420.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 419.11 Da
• Monoisotopic Mass: 419.11 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 426.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3