Fenbufen - CAS 36330-85-5
Catalog: |
BB022938 |
Product Name: |
Fenbufen |
CAS: |
36330-85-5 |
Synonyms: |
4-oxo-4-(4-phenylphenyl)butanoic acid |
Application: |
A non-steroidal anti-inflammatory drug |
IUPAC Name: | 4-oxo-4-(4-phenylphenyl)butanoic acid |
Description: | Fenbufen is a non-steroidal anti-inflammatory synthetic active reagent. |
Molecular Weight: | 254.28 |
Molecular Formula: | C16H14O3 |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCC(=O)O |
InChI: | InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19) |
InChI Key: | ZPAKPRAICRBAOD-UHFFFAOYSA-N |
Boiling Point: | 470.2 ℃ at 760 mmHg |
Melting Point: | 184-187 ℃ (lit.) |
Purity: | > 98 % |
Density: | 1.188 g/cm3 |
Solubility: | Soluble in DMSO |
Appearance: | White solid |
Storage: | Store at -20 ℃ |
LogP: | 3.40110 |
Quality Standard: | Enterprise Standard |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113350302-A | Compound metronidazole tablet for pets and preparation method thereof | 20210630 |
CN-113350239-A | Multifunctional mouthwash containing mature vinegar and preparation method of multifunctional mouthwash | 20210625 |
CN-113121318-A | Biheteroaromatic hydrocarbon compound and preparation method thereof | 20210415 |
KR-20210039364-A | Microorganism expressing heterologous protein, and use thereof | 20210329 |
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PMID | Publication Date | Title | Journal |
23571415 | 20130601 | Structure-based identification of OATP1B1/3 inhibitors | Molecular pharmacology |
22542655 | 20120615 | Involvement of glutamate, oxidative stress and inducible nitric oxide synthase in the convulsant activity of ciprofloxacin in mice | European journal of pharmacology |
22336816 | 20120215 | Aspirin, steroidal and non-steroidal anti-inflammatory drugs for the treatment of Alzheimer's disease | The Cochrane database of systematic reviews |
22359454 | 20120101 | Novel biodegradable sandwich-structured nanofibrous drug-eluting membranes for repair of infected wounds: an in vitro and in vivo study | International journal of nanomedicine |
22693627 | 20120101 | Effect of rare Earth ions on the properties of composites composed of ethylene vinyl acetate copolymer and layered double hydroxides | PloS one |
Complexity: | 310 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.094294304 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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