Glycopyrronium Bromide EP Impurity B - CAS 611-73-4
Catalog: |
BB030981 |
Product Name: |
Glycopyrronium Bromide EP Impurity B |
CAS: |
611-73-4 |
Synonyms: |
phenylglyoxylic acid; alpha-Oxo-benzeneacetic acid; Benzoylformic acid; α-Ketophenylacetic Acid |
Related CAS: | 43165-51-1 (sodium) 52009-50-4 (calcium) 63468-90-6 (potassium)
|
IUPAC Name: | 2-oxo-2-phenylacetic acid |
Description: | Glycopyrronium Bromide EP Impurity B is one of Glycopyrrolate impurities. Glycopyrrolate is an anticholinergic agent with antispasmodic activity used to treat gastrointestinal conditions associated. |
Molecular Weight: | 150.13 |
Molecular Formula: | C8H6O3 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)C(=O)O |
InChI: | InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11) |
InChI Key: | FAQJJMHZNSSFSM-UHFFFAOYSA-N |
Boiling Point: | 84.0 ℃ at 0.1 mmHg |
Melting Point: | 62-65 ℃ |
Purity: | 98 % |
Density: | 1.380 g/cm3 (Predicted) |
Solubility: | Soluble in DMSO, Acetonitrile, Chloroform, Springly soluble in Methanol |
Appearance: | White to off-white solid |
Storage: | RT |
MDL: | MFCD00002575 |
LogP: | 0.95390 |
GHS Hazard Statement: | H315 (97.92%): 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 |
CN-113476898-A | Device and method for preparing methyl oxophenylacetate | 20210722 |
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CN-113308486-A | Method for producing L-phenylglycine by genetic engineering strain biocatalysis | 20210413 |
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PMID | Publication Date | Title | Journal |
25562543 | 20150304 | Influence of genetic polymorphisms of styrene-metabolizing enzymes on the levels of urinary biomarkers of styrene exposure | Toxicology letters |
22750350 | 20120903 | Vinylphenylmercapturic acids in human urine as biomarkers of styrene ring oxidation | Toxicology letters |
23077800 | 20120901 | Occupational exposure to styrene in the fibreglass reinforced plastic industry: comparison between two different manufacturing processes | La Medicina del lavoro |
22033370 | 20120701 | Biosynthesis of benzoylformic acid from benzoyl cyanide by a newly isolated Rhodococcus sp. CCZU10-1 in toluene-water biphasic system | Bioresource technology |
22492963 | 20120601 | Simultaneous determination of aromatic acid metabolites of styrene and styrene-oxide in rat urine by gas chromatography-flame ionization detection | Journal of analytical toxicology |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.031694049 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.031694049 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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