Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
The inactive enantiomer of the dopamine D2 antagonist S(-)-Eticlopride
| Sonrisas canónicas | CCC1=CC(=C(C(=C1O)C(=O)NCC2CCCN2CC)OC)Cl |
|---|---|
| IUPAC Name | 5-chloro-3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide |
| InChIKey | AADCDMQTJNYOSS-LBPRGKRZSA-N |
| INCHI | 1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1 |
| Isómeros SMILES | CCC1=CC(=C(C(=C1O)C(=O)NC[C@@H]2CCCN2CC)OC)Cl |
| Peso molecular | 377.3 |
| Reaxy-Rn | 3559178 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3559178&ln= |
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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Hydroxybenzoic acid derivatives - Salicylic acid and derivatives |
| Direct Parent | Salicylamides |
| Alternative Parents | 3-halobenzoic acids and derivatives Methoxyphenols Benzamides Phenoxy compounds P-chlorophenols Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes N-alkylpyrrolidines Aryl chlorides Vinylogous acids Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Methoxyphenol - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Salicylamide - Benzamide - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - 4-halophenol - 4-chlorophenol - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Phenol - Aryl chloride - Aryl halide - N-alkylpyrrolidine - Pyrrolidine - Vinylogous acid - Tertiary aliphatic amine - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organopnictogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as salicylamides. These are carboxamide derivatives of salicylic acid. Salicylic acid is the ortho-hydroxylated derivative of benzoic acid. |
| External Descriptors | Not available |
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| Solubilidad | Soluble in dilute aqueous acid, DMSO, and water (moderately ). |
|---|---|
| Rotación específica [α] | α20/D 6.7°, c = 0.6 in methanol |
| Peso molecular | 340.800 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 340.155 Da |
| Monoisotopic Mass | 340.155 Da |
| Topological Polar Surface Area | 61.800 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 396.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 1 |
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