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1477-19-6 | Methanone, (2-ethyl-3-benzofuranyl)(4-hydroxyphenyl)-
CAS No: 1477-19-6 Catalog No: AG001F48 MDL No:MFCD00867417
Product Description
Catalog Number:
AG001F48
Chemical Name:
Methanone, (2-ethyl-3-benzofuranyl)(4-hydroxyphenyl)-
CAS Number:
1477-19-6
Molecular Formula:
C17H14O3
Molecular Weight:
266.2913
MDL Number:
MFCD00867417
IUPAC Name:
(2-ethyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone
InChI:
InChI=1S/C17H14O3/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3
InChI Key:
RFRXIWQYSOIBDI-UHFFFAOYSA-N
SMILES:
CCc1oc2c(c1C(=O)c1ccc(cc1)O)cccc2
EC Number:
216-026-2
UNII:
23ZW4BG89C
NSC Number:
82134
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.296g/mol
Monoisotopic Mass:
266.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Evaluating the Role of Multidrug Resistance Protein 3 (MDR3) Inhibition in Predicting Drug-Induced Liver Injury Using 125 Pharmaceuticals. | Chemical research in toxicology 20170515 |
| Determination of drug toxicity using 3D spheroids constructed from an immortal human hepatocyte cell line. | Toxicological sciences : an official journal of the Society of Toxicology 20120601 |
| The EYA tyrosine phosphatase activity is pro-angiogenic and is inhibited by benzbromarone. | PloS one 20120101 |
| Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). | PLoS computational biology 20111201 |
| [Drug-induced hepatic injury, the challenge for cause investigation]. | Rinsho byori. The Japanese journal of clinical pathology 20111201 |
| Developing potent human uric acid transporter 1 (hURAT1) inhibitors. | Journal of medicinal chemistry 20110428 |
| Interactions of urate transporter URAT1 in human kidney with uricosuric drugs. | Nephrology (Carlton, Vic.) 20110201 |
| Current concepts of mechanisms in drug-induced hepatotoxicity. | Current medicinal chemistry 20090801 |
| Mechanisms of benzarone and benzbromarone-induced hepatic toxicity. | Hepatology (Baltimore, Md.) 20050401 |
| Severe hepatotoxicity related to benzarone: a report of three cases with two fatalities. | Liver 19950201 |
| Subfulminant hepatitis requiring liver transplantation after benzarone administration. | Journal of hepatology 19940601 |
| [Drug-induced hepatitis due to benzarone (Fragivix): apropos of a clinical case report]. | Acta gastro-enterologica Belgica 19900101 |
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