Anisotropine Methylbromide - ≥98% , Muscarinic acetylcholine receptor M1 antagonist, CAS No.80-50-2, Muscarinic acetylcholine receptor M1 antagonist

CAS: 80-50-2 Cat. No.: A134744 Summenformel: C₁₇H₃₂BrNO₂ Molekulargewicht: 362.35 EG-Nummer: 201-285-6

GRADE & PURITY ≥98%

Synonyms

Lytispasm | AKOS015916559 | 8-Azoniabicyclo(3.2.1)octane, 8,8-dimethyl-3-((1-oxo-2-propylpentyl)oxy)-, bromide, endo- | Metilbromuro de octatropina | Opera_ID_1463 | ANISOTROPINE METHYLBROMIDE [VANDF] | Methyloctatropine bromide (JAN) | Valpin (TN) | Meti

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

Lytispasm | AKOS015916559 | 8-Azoniabicyclo(3.2.1)octane, 8,8-dimethyl-3-((1-oxo-2-propylpentyl)oxy)-, bromide, endo- | Metilbromuro de octatropina | Opera_ID_1463 | ANISOTROPINE METHYLBROMIDE [VANDF] | Methyloctatropine bromide (JAN) | Valpin (TN) | Meti

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Anisotropine Methylbromide is an anticholinergic agent and has been used for relief of gastrointestinal spasm and for the suppression of gastric acid secretion.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Muscarinic acetylcholine receptor M1 antagonist

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504759794

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759794

Kanonisches Lächeln

CCCC(CCC)C(=O)OC1CC2CCC(C1)[N+]2(C)C.[Br-]

IUPAC Name

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

InChIKey

QSFKGMJOKUZAJM-JXMYBXCISA-M

INCHI

1S/C17H32NO2.BrH/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1/t14-,15+,16?;

Isomere SMILES

CCCC(CCC)C(=O)OC1C[C@H]2CC[C@@H](C1)[N+]2(C)C.[Br-]

WGK Deutschland

3

RTECS

YM3710000

Molekulargewicht

362.35

Reaxy-Rn

43598085

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43598085&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Klasse: Tropane alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tropane alkaloids
• Alternative Parents: Fatty acid esters Piperidines N-alkylpyrrolidines Tetraalkylammonium salts Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Tropane alkaloid - Fatty acid ester - Piperidine - N-alkylpyrrolidine - Fatty acyl - Pyrrolidine - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic bromide salt - Organic salt - Aliphatic heteropolycyclic compound
• Beschreibung: 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

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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Pneumocystis carinii (749 Activities)

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Leishmania infantum (5912 Activities)

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Trypanosoma brucei (78846 Activities)

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Trypanosoma brucei brucei (13300 Activities)

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Entamoeba histolytica (2676 Activities)

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Cryptosporidium parvum (1150 Activities)

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Plasmodium falciparum (966862 Activities)

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Leishmania amazonensis (3813 Activities)

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Leishmania donovani (89745 Activities)

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Leishmania major (2877 Activities)

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Leishmania mexicana (936 Activities)

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Trypanosoma cruzi (99888 Activities)

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Trichomonas vaginalis (2376 Activities)

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Toxoplasma gondii (4585 Activities)

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Trypanosoma brucei rhodesiense (7991 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
• Schmelzpunkt (°C): >285°C (dec.)
• Molekulargewicht: 362.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 361.162 Da
• Monoisotopic Mass: 361.162 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 318.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 80-50-2, the molecular formula is C17H32BrNO2, and the molecular weight is 362.35 g/mol. InChIKey QSFKGMJOKUZAJM-JXMYBXCISA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.