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

CAS: 53-46-3 Cat. No.: M338417 Fórmula: C₂₁H₂₆BrNO₃ Peso molecular: 420.34 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

Moligand™, ≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Histamine H2 receptor antagonist

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 528773026
• Sonrisas canónicas: 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
• Isómeros SMILES: CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.[Br-]
• RTECS: BP7632500
• Peso molecular: 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
    • Clase Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water, and alcohol.
• Punto de fusión (°C): 162-164° C
• Peso molecular: 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