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Anisotropine Methylbromide - 98%, high purity , Muscarinic acetylcholine receptor M1 antagonist, CAS No.80-50-2, Muscarinic acetylcholine receptor M1 antagonist
Basic Description
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
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Anisotropine Methylbromide is an anticholinergic agent and has been used for relief of gastrointestinal spasm and for the suppression of gastric acid secretion.
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
ANTAGONIST
Mechanism of action
Muscarinic acetylcholine receptor M1 antagonist
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
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
Description
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504759794
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504759794
IUPAC Name
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate;bromide
INCHI
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?;
InChIKey
QSFKGMJOKUZAJM-JXMYBXCISA-M
Smiles
CCCC(CCC)C(=O)OC1CC2CCC(C1)[N+]2(C)C.[Br-]
Isomeric SMILES
CCCC(CCC)C(=O)OC1C[C@H]2CC[C@@H](C1)[N+]2(C)C.[Br-]
WGK Germany
3
RTECS
YM3710000
Molecular Weight
362.35
Reaxy-Rn
43598085
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43598085&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Chloroform (Slightly), Methanol (Slightly)
Melt Point(°C)
>285°C (dec.)
Molecular Weight
362.300 g/mol
XLogP3
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
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