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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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A710649-250mg
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250mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$246.90
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A710649-1g
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1g |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$767.90
|
|
| Specifications & Purity | ≥90% |
|---|
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Hydropyridines |
| Intermediate Tree Nodes | Dihydropyridines |
| Direct Parent | Dihydropyridinecarboxylic acids and derivatives |
| Alternative Parents | Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Alkanesulfonic acids Vinylogous amides Sulfonyls Organosulfonic acids Enoate esters Methanesulfonates Methyl esters Amino acids and derivatives Enamines Azacyclic compounds Dialkylamines Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organochlorides |
| Molecular Framework | Not available |
| Substituents | Dihydropyridinecarboxylic acid derivative - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Methanesulfonate - Vinylogous amide - Enoate ester - Methyl ester - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Secondary amine - Dialkyl ether - Secondary aliphatic amine - Enamine - Ether - Organosulfur compound - Primary amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group. |
| External Descriptors | Not available |
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| IUPAC Name | 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate;methanesulfonic acid |
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| INCHI | InChI=1S/C20H25ClN2O5.CH4O3S/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;1-5(2,3)4/h5-8,17,23H,4,9-11,22H2,1-3H3;1H3,(H,2,3,4) |
| InChIKey | MUVFCHUBATVFPP-UHFFFAOYSA-N |
| Smiles | CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.CS(=O)(=O)O |
| Isomeric SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.CS(=O)(=O)O |
| PubChem CID | 10300874 |
| Molecular Weight | 504.99 |
| Molecular Weight | 505.000 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 10 |
| Exact Mass | 504.133 Da |
| Monoisotopic Mass | 504.133 Da |
| Topological Polar Surface Area | 163.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 739.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |