4-Hydroxyantipyrine - CAS 1672-63-5
Catalog: |
BB012369 |
Product Name: |
4-Hydroxyantipyrine |
CAS: |
1672-63-5 |
Synonyms: |
4-hydroxy-1,5-dimethyl-2-phenylpyrazol-3-one |
IUPAC Name: | 4-hydroxy-1,5-dimethyl-2-phenylpyrazol-3-one |
Description: | 4-Hydroxyantipyrine (CAS# 1672-63-5) is a metabolite of antipyrine (A697500) which is an analgesic and antipyretic that has been given by mouth and as ear drops. Antipyrine is often used in testing the effects of other drugs or diseases on drug-metabolizing enzymes in the liver. Antipyrine is often used in testing the effects of other drugs or diseases on drug-metabolizing enzymes in the liver. |
Molecular Weight: | 204.23 |
Molecular Formula: | C11H12N2O2 |
Canonical SMILES: | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)O |
InChI: | InChI=1S/C11H12N2O2/c1-8-10(14)11(15)13(12(8)2)9-6-4-3-5-7-9/h3-7,14H,1-2H3 |
InChI Key: | SKVPTPMWXJSBTF-UHFFFAOYSA-N |
Boiling Point: | 314.3 °C at 760 mmHg |
Density: | 1.294 g/cm3 |
MDL: | MFCD00003143 |
LogP: | 1.19000 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021123332-A1 | Lipid nanoparticles for delivery of nucleic acids | 20191220 |
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WO-2021081353-A1 | Synthetic rig-i-like receptor agonists | 20191023 |
PMID | Publication Date | Title | Journal |
23639246 | 20130704 | Differential induction of cytochrome P450 isoforms and peroxisomal proliferation by cyfluthrin in male Wistar rats | Toxicology letters |
21202758 | 20080607 | Dibromidobis-(4-hydr-oxy-1,5-dimethyl-2-phenyl-3-pyrazolone)zinc(II) | Acta crystallographica. Section E, Structure reports online |
15090289 | 20040227 | Impact of amphotericin B on the cytochrome P450 system in HIV-infected patients | European journal of medical research |
11767111 | 20011201 | Application of 4-hydroxyantipyrine and acetaminophen O-sulfate as biodistribution promoter | Biological & pharmaceutical bulletin |
11379775 | 20010501 | Effects of 4-hydroxyantipyrine and its 4-O-sulfate on antipyrine as biodistribution promoter | Biological & pharmaceutical bulletin |
Complexity: | 306 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.089877630 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.089877630 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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