for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Tematropium (CDDD3602) is a soft anticholinergics.
In Vitro
Tematropium is a neurological agent. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:Anticholinergics
| Canonical Smiles | CCOC(=O)C(C1=CC=CC=C1)C(=O)OC2CC3CCC(C2)[N+]3(C)C.COS(=O)(=O)[O-] |
|---|---|
| IUPAC Name | 1-O-[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-O-ethyl 2-phenylpropanedioate;methyl sulfate |
| InChIKey | YLMCBOIUJONUGH-JFHFZLIBSA-M |
| INCHI | 1S/C20H28NO4.CH4O4S/c1-4-24-19(22)18(14-8-6-5-7-9-14)20(23)25-17-12-15-10-11-16(13-17)21(15,2)3;1-5-6(2,3)4/h5-9,15-18H,4,10-13H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1/t15-,16+,17?,18?; |
| Isomeric SMILES | CCOC(=O)C(C1=CC=CC=C1)C(=O)OC2C[C@H]3CC[C@@H](C2)[N+]3(C)C.COS(=O)(=O)[O-] |
| Alternate CAS | 113932-41-5 |
| PubChem CID | 23725042 |
| Molecular Weight | 457.54 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Alkaloids and derivatives |
| Class | Tropane alkaloids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tropane alkaloids |
| Alternative Parents | Sulfuric acid monoesters Piperidines N-alkylpyrrolidines Dicarboxylic acids and derivatives Benzene and substituted derivatives Alkyl sulfates 1,3-dicarbonyl compounds Tetraalkylammonium salts Carboxylic acid esters Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines Organic cations |
| Molecular Framework | Not available |
| Substituents | Tropane alkaloid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Piperidine - Sulfuric acid monoester - Sulfate-ester - 1,3-dicarbonyl compound - N-alkylpyrrolidine - Alkyl sulfate - Sulfuric acid ester - Benzenoid - Tetraalkylammonium salt - Organic sulfuric acid or derivatives - Pyrrolidine - Quaternary ammonium salt - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic cation - Aromatic 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 |
| Molecular Weight | 457.500 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 457.177 Da |
| Monoisotopic Mass | 457.177 Da |
| Topological Polar Surface Area | 127.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 573.000 |
| 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 |
