≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged 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.
| Canonical Smiles | CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.CS(=O)(=O)O |
|---|---|
| IUPAC Name | (2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;methanesulfonic acid |
| InChIKey | ZSPLOATUDIRNAS-PPHPATTJSA-N |
| INCHI | 1S/C18H20FN3O4.CH4O3S/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21;1-5(2,3)4/h7-8,10H,3-6,9H2,1-2H3,(H,24,25);1H3,(H,2,3,4)/t10-;/m0./s1 |
| Isomeric SMILES | C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.CS(=O)(=O)O |
| PubChem CID | 46191666 |
| Molecular Weight | 457.47 |
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 |
| Class | Quinolines and derivatives |
| Subclass | Quinoline carboxylic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinoline carboxylic acids |
| Alternative Parents | Fluoroquinolones N-arylpiperazines Aminoquinolines and derivatives Haloquinolines Hydroquinolones Benzoxazines Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines Alkyl aryl ethers N-methylpiperazines Benzenoids Aryl fluorides Methanesulfonates Alkanesulfonic acids Organosulfonic acids Heteroaromatic compounds Sulfonyls Vinylogous amides Amino acids Trialkylamines Oxacyclic compounds Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides |
| Molecular Framework | Not available |
| Substituents | Quinoline-3-carboxylic acid - Fluoroquinolone - N-arylpiperazine - Aminoquinoline - Haloquinoline - Dihydroquinolone - Benzoxazine - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - Alkyl aryl ether - N-methylpiperazine - N-alkylpiperazine - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Pyridine - Benzenoid - Heteroaromatic compound - Methanesulfonate - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Vinylogous amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Amino acid - Amino acid or derivatives - Ether - Oxacycle - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 457.500 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 2 |
| Exact Mass | 457.132 Da |
| Monoisotopic Mass | 457.132 Da |
| Topological Polar Surface Area | 136.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 726.000 |
| 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 | 2 |
