≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged,Desiccated Ships Wet ice 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.
| Sonrisas canónicas | CC1CC(CN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC)N.C(C(C(=O)O)O)C(=O)O |
|---|---|
| IUPAC Name | 7-[(3S,5S)-3-amino-5-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid;2-hydroxybutanedioic acid |
| InChIKey | YMVJINCWEIPOFL-FXMYHANSSA-N |
| INCHI | 1S/C20H25N3O4.C4H6O5/c1-11-7-12(21)9-22(8-11)16-6-5-14-17(19(16)27-2)23(13-3-4-13)10-15(18(14)24)20(25)26;5-2(4(8)9)1-3(6)7/h5-6,10-13H,3-4,7-9,21H2,1-2H3,(H,25,26);2,5H,1H2,(H,6,7)(H,8,9)/t11-,12-;/m0./s1 |
| Isómeros SMILES | C[C@H]1C[C@@H](CN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC)N.C(C(C(=O)O)O)C(=O)O |
| PubChem CID | 49863435 |
| Peso molecular | 371.4314309 |
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 | Organoheterocyclic compounds |
| Clase | Quinolines and derivatives |
| Subclass | Quinoline carboxylic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinoline carboxylic acids |
| Alternative Parents | Aminoquinolines and derivatives Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Methoxyanilines Anisoles Dialkylarylamines Alkyl aryl ethers Aminopiperidines Dicarboxylic acids and derivatives Heteroaromatic compounds Vinylogous amides Amino acids Carboxylic acids Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Monoalkylamines |
| Molecular Framework | Not available |
| Substituents | Quinoline-3-carboxylic acid - Aminoquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Methoxyaniline - Anisole - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 3-aminopiperidine - Alkyl aryl ether - Dicarboxylic acid or derivatives - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Tertiary amine - Ether - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions. |
| External Descriptors | Not available |
| Peso molecular | 505.500 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 7 |
| Exact Mass | 505.206 Da |
| Monoisotopic Mass | 505.206 Da |
| Topological Polar Surface Area | 191.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 776.000 |
| 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 |
