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.
Rebamipide-d4 is a biochemcial that shows antiulcer activity in rats.
| Kanonisches Lächeln | C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)Cl |
|---|---|
| IUPAC Name | 2-[(4-chloro-2,3,5,6-tetradeuteriobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid |
| InChIKey | ALLWOAVDORUJLA-KDWZCNHSSA-N |
| INCHI | 1S/C19H15ClN2O4/c20-13-7-5-11(6-8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)/i5D,6D,7D,8D |
| Isomere SMILES | [2H]C1=C(C(=C(C(=C1C(=O)NC(CC2=CC(=O)NC3=CC=CC=C32)C(=O)O)[2H])[2H])Cl)[2H] |
| PubChem CID | 57369397 |
| Molekulargewicht | 374.81 |
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 |
| Klasse | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Benzamides - Hippuric acids and derivatives |
| Direct Parent | Hippuric acids |
| Alternative Parents | N-acyl-alpha amino acids Hydroquinolones 4-halobenzoic acids and derivatives Hydroquinolines Benzoyl derivatives Pyridinones Chlorobenzenes Aryl chlorides Heteroaromatic compounds Lactams Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Dihydroquinolone - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Quinoline - Dihydroquinoline - Benzoyl - Chlorobenzene - Halobenzene - Pyridinone - Aryl chloride - Pyridine - Aryl halide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine. |
| External Descriptors | Not available |
| Schmelzpunkt (°C) | >268° C (dec.) |
|---|---|
| Molekulargewicht | 374.800 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 374.097 Da |
| Monoisotopic Mass | 374.097 Da |
| Topological Polar Surface Area | 95.500 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 598.000 |
| Isotope Atom Count | 4 |
| 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 | 1 |
