6-Methoxynaphthalene-2-acetic Acid - CAS 23981-47-7
Catalog: |
BB018275 |
Product Name: |
6-Methoxynaphthalene-2-acetic Acid |
CAS: |
23981-47-7 |
Synonyms: |
2-(6-methoxy-2-naphthalenyl)acetic acid; 2-(6-methoxynaphthalen-2-yl)acetic acid |
IUPAC Name: | 2-(6-methoxynaphthalen-2-yl)acetic acid |
Description: | A metabolite of Naproxen, which is a non-selective COX inhibitor. |
Molecular Weight: | 216.23 |
Molecular Formula: | C13H12O3 |
Canonical SMILES: | COC1=CC2=C(C=C1)C=C(C=C2)CC(=O)O |
InChI: | InChI=1S/C13H12O3/c1-16-12-5-4-10-6-9(7-13(14)15)2-3-11(10)8-12/h2-6,8H,7H2,1H3,(H,14,15) |
InChI Key: | PHJFLPMVEFKEPL-UHFFFAOYSA-N |
Boiling Point: | 408.8 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.235 g/cm3 |
Appearance: | White to off-white solid |
MDL: | MFCD00033105 |
LogP: | 2.47550 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113308704-A | Electrooxidation preparation method of naproxen intermediate | 20210531 |
US-2021236687-A1 | Cannabinoid-based oral hemostatic compositions | 20200131 |
JP-2021107330-A | Oral pharmaceutical composition | 20191227 |
JP-2021107332-A | Oral pharmaceutical composition | 20191227 |
US-2021137833-A1 | Dental topical anesthetic gel | 20191108 |
PMID | Publication Date | Title | Journal |
23584048 | 20130601 | Analytical power of LLE-HPLC-PDA-MS/MS in drug metabolism studies: identification of new nabumetone metabolites | Journal of pharmaceutical and biomedical analysis |
22977877 | 20121107 | Simultaneous determination of nabumetone and its principal metabolite in medicines and human urine by time-resolved fluorescence | The Analyst |
21650014 | 20110201 | [Determination of nabumetone and 6-methoxy-2-naphthylacetic acid in plasma using HPLC with UV and MS detection] | Ceska a Slovenska farmacie : casopis Ceske farmaceuticke spolecnosti a Slovenske farmaceuticke spolecnosti |
21532165 | 20110101 | In vitro characterization of the cytochrome P450 isoforms involved in the metabolism of 6-methoxy-2-napthylacetic acid, an active metabolite of the prodrug nabumetone | Biological & pharmaceutical bulletin |
20719061 | 20100801 | Rapid simultaneous determination of four non-steroidal anti-inflammatory drugs by means of derivative nonlinear variable-angle synchronous fluorescence spectrometry | Applied spectroscopy |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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