2-Phenyl-4-quinolinecarboxylic acid - CAS 132-60-5
Catalog: |
BB007606 |
Product Name: |
2-Phenyl-4-quinolinecarboxylic acid |
CAS: |
132-60-5 |
Synonyms: |
Agotan; Alutyl; Artam; Atocin; Atophan; Cinchophen; Cinchophene; Cinchophenic acid; Cinconal; Cincophen; Cincosal; Mylofanol; Phenoquin; 2-Phenylcinchonic acid; 2-Phenylcinchoninic acid; Quinophan; Rhematan; Rheumine; Tophol; Tophosan; Vantyl; Viophan; Quinophen; Aciphenochinolinium; Polyphlogin; Quinofen; Atofan; Artexin; Traubofan; Atigoa; Tervalon; Aminophan; Phenophan; Ikterosan; Aciphenochinoline; 4-Carboxy-2-phenylquinoline; Rheumatan; Alutyo; Rheumin |
Application: |
Anti-inflammatory agents, Non-steroidal |
IUPAC Name: | 2-phenylquinoline-4-carboxylic acid |
Description: | 2-Phenyl-4-quinolinecarboxylic acid is an analgesic drug that is frequently used to treat gout. |
Molecular Weight: | 249.26 |
Molecular Formula: | C16H11NO2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O |
InChI: | InChI=1S/C16H11NO2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H,18,19) |
InChI Key: | YTRMTPPVNRALON-UHFFFAOYSA-N |
Boiling Point: | 456.9 °C at 760 mmHg |
Melting Point: | 218 °C |
Purity: | > 98 % |
Density: | 1.28 g/cm3 |
Solubility: | Rapidly loses water of crystallization on exposure to air; sol in water, Alc; practically insol in ether /lithium salt octahydrate |
Appearance: | Beige powder |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD00006750 |
LogP: | 3.60000 |
Refractive Index: | 1.545 (ALPHA) |
Stability: | Stable to air, But turns yellow under the influence of light |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10980756-B1 | Methods of treatment | 20200316 |
WO-2021125930-A1 | Synthetic dna molecule with a potentiator self-regulated by hypoxia and/or inflammation for use as a therapeutic agent in inflammatory diseases and tissue degeneration | 20191219 |
US-2021145588-A1 | Bone implant holding and shaping tray | 20191115 |
WO-2021096966-A1 | Bone implant holding and shaping tray | 20191115 |
US-2021114973-A1 | Pharmaceutical formulations | 20191018 |
PMID | Publication Date | Title | Journal |
28437613 | 20170515 | Evaluating the Role of Multidrug Resistance Protein 3 (MDR3) Inhibition in Predicting Drug-Induced Liver Injury Using 125 Pharmaceuticals | Chemical research in toxicology |
24085192 | 20140101 | A correlation between the in vitro drug toxicity of drugs to cell lines that express human P450s and their propensity to cause liver injury in humans | Toxicological sciences : an official journal of the Society of Toxicology |
22194678 | 20111201 | Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps) | PLoS computational biology |
22065024 | 20111001 | Bis(μ-2-phenyl-quinoline-4-carboxyl-ato)bis-[aqua-(1,10-phenanthroline)(2-phenyl-quinoline-4-carboxyl-ato)manganese(II)] dihydrate | Acta crystallographica. Section E, Structure reports online |
21522597 | 20101204 | Bis(μ-2-phenyl-quinoline-4-carboxyl-ato)-κO,O':O;κO:O,O'-bis-[(2,2'-bipyridine-κN,N')(2-phenyl-quinoline-4-carboxyl-ato-κO,O')cadmium(II)] | Acta crystallographica. Section E, Structure reports online |
Complexity: | 325 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.078978594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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