Fenclozic acid - CAS 17969-20-9
Catalog: |
BB013597 |
Product Name: |
Fenclozic acid |
CAS: |
17969-20-9 |
Synonyms: |
2-(2-(4-Chlorophenyl)thiazol-4-yl)acetic acid; Myalex; Acidum fenclozicum; ICI 54450; 2-(p-Chlorophenyl)-4-thiazoleacetic acid |
IUPAC Name: | 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetic acid |
Description: | Fenclozic acid is an analgesic and antipyretic with anti-inflammatory properties. |
Molecular Weight: | 253.70 |
Molecular Formula: | C11H8ClNO2S |
Canonical SMILES: | C1=CC(=CC=C1C2=NC(=CS2)CC(=O)O)Cl |
InChI: | InChI=1S/C11H8ClNO2S/c12-8-3-1-7(2-4-8)11-13-9(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15) |
InChI Key: | APBSKHYXXKHJFK-UHFFFAOYSA-N |
Boiling Point: | 444.7 °C at 760 mmHg |
Density: | 1.434 g/cm3 |
MDL: | MFCD00721754 |
LogP: | 3.09060 |
Publication Number | Title | Priority Date |
WO-2021195403-A1 | Deuterated sgc stimulators | 20200326 |
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PMID | Publication Date | Title | Journal |
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 |
23609606 | 20130801 | In vitro exploration of potential mechanisms of toxicity of the human hepatotoxic drug fenclozic acid | Archives of toxicology |
22194678 | 20111201 | Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps) | PLoS computational biology |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.9964274 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.9964274 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 78.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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