Atropine methyl bromide - ≥95% , CAS No.2870-71-5

CAS: 2870-71-5 Cat. No.: A649517 Fórmula: C₁₈H₂₆BrNO₃ Peso molecular: 384.31 Número CE: 220-700-1

GRADE & PURITY ≥95%

Synonyms

DTXSID2045103 | endo-3-((3-Hydroxy-2-phenylpropanoyl)oxy)-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium bromide | Mydriasin | 63IFT0IX9N | D03814 | 3-alpha-Hydroxy-8-methyl-1-alpha,5-alpha-H-tropanium bromide (+-)tropate | 1-alpha-H,5-alpha-H-Tropanium, 3-a

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Visão geral

Atropine methyl bromide, a muscarinic receptor (mAChR) antagonist, is a quaternary ammonium salt of atropine and a mydriatic for dilation of the pupil during ophthalmic examination. It is introduced for relieving pyloric spasm in infants for its highly polar nature. It penetrates less readily into the central nervous system than atropine.

Form:Solid

Specifications

Sinónimos

DTXSID2045103 | endo-3-((3-Hydroxy-2-phenylpropanoyl)oxy)-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium bromide | Mydriasin | 63IFT0IX9N | D03814 | 3-alpha-Hydroxy-8-methyl-1-alpha,5-alpha-H-tropanium bromide (+-)tropate | 1-alpha-H,5-alpha-H-Tropanium, 3-a

Especificações e pureza

≥95%

Mecanismos bioquímicos e fisiológicos

Atropine methyl bromide, a muscarinic receptor (mAChR) antagonist, is a quaternary ammonium salt of atropine and a mydriatic for dilation of the pupil during ophthalmic examination. It is introduced for relieving pyloric spasm in infants for its highly po

Condições de armazenamento de armazenamento

Store at 2-8°C,Desiccated

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

ANTAGONIST

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-]

IUPAC Name

[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;bromide

InChIKey

XMLNCADGRIEXPK-ZNHDNBJUSA-M

INCHI

1S/C18H26NO3.BrH/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;/h3-7,14-17,20H,8-12H2,1-2H3;1H/q+1;/p-1/t14-,15+,16?,17?;

SMILES isoméricas

C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-]

Peso molecular

384.31

Reaxy-Rn

62663373

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=62663373&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Classe Tropane alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Classe: Tropane alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tropane alkaloids
• Alternative Parents: Beta hydroxy acids and derivatives Piperidines Benzene and substituted derivatives N-alkylpyrrolidines Tetraalkylammonium salts Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Organic bromide salts Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic zwitterions Organopnictogen compounds Primary alcohols Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tropane alkaloid - Beta-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Piperidine - N-alkylpyrrolidine - Benzenoid - Tetraalkylammonium salt - Pyrrolidine - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Organic salt - Hydrocarbon derivative - Primary alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic bromide salt - Organopnictogen compound - Alcohol - Organic zwitterion - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.
• 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

Alvos associados (humanos)

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 150 mg/mL (390.31 mM; Need ultrasonic)
• Peso molecular: 384.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 383.11 Da
• Monoisotopic Mass: 383.11 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 387.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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