Glycopyrronium Bromide EP Impurity H
Product Information
Molecular Formula
C9H8O3
Molecular Weight
164.16
Description
An impurity of Glycopyrrolate, which is an anticholinergic agent with antispasmodic activity used to treat gastrointestinal conditions associated.
Synonyms
Methyl benzoylformate; Phenylglyoxylic Acid Methyl Ester; Benzeneacetic acid, α-oxo-, methyl ester; Methyl Phenylglyoxylate
IUPAC Name
methyl 2-oxo-2-phenylacetate
SMILES
COC(=O)C(=O)C1=CC=CC=C1
InChI
InChI=1S/C9H8O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6H,1H3
InChI Key
YLHXLHGIAMFFBU-UHFFFAOYSA-N
Boiling Point
84.0 °C 0.1 mmHg
Melting Point
16 °C
Flash Point
235.4 °F
Purity
98 %
Density
1.163 g/mL at 20 °C
Solubility
Soluble in Methanol, Acetonitrile
Appearance
Clear yellow liquid
Storage
RT
Refractive Index
n20/D 1.526 (lit.)
LogP
1.04230
Related CAS
81065-82-9
Safety Information
Precautionary Statement
P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
1.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
164.047344113 g/mol
Monoisotopic Mass
164.047344113 g/mol
Topological Polar Surface Area
43.4Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
180
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114163855-A | UV and moisture dual-curing three-proofing paint and preparation method thereof | 2021-12-20 |
| CN-114181660-A | Ultraviolet curing adhesive composition for MiniLED packaging and preparation method and application thereof | 2021-12-17 |
| CN-114181231-A | Multi-sulfhydryl compound and preparation method thereof | 2021-12-16 |
| CN-113912893-A | Colorful film and preparation method thereof | 2021-12-15 |
| CN-113912893-B | Colorful film and preparation method thereof | 2021-12-15 |
| CN-114057661-A | Preparation method of metamitron | 2021-12-13 |
| JP-2022031343-A | Photo-curing nail dressing | 2021-12-13 |
| CN-114014986-A | Highly elastic photosensitive resin composition | 2021-12-09 |
| KR-102360624-B1 | Heat radianting pad for extingish a fire | 2021-12-09 |
| CN-114149755-A | LED packaging adhesive film, application of LED packaging adhesive film and LED packaging structure | 2021-12-07 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21113549 | 2011-02-07 | The first case of competitive heterogeneously catalyzed enantioselective hydrogenation of ketones | Chemical communications (Cambridge, England) |
| 20033429 | 2010-09-01 | Integration of newly isolated biocatalyst and resin-based in situ product removal technique for the asymmetric synthesis of (R)-methyl mandelate | Bioprocess and biosystems engineering |
| 19642693 | 2009-09-04 | Mechanistic insights on the magnesium(II) ion-activated reduction of methyl benzoylformate with chelated NADH peptide beta-lactam models | The Journal of organic chemistry |
| 19122440 | 2009-01-01 | [Overview of 40 years' chemical study] | Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan |
| 18597534 | 2008-08-01 | Stereoselective bioreduction of bulky-bulky ketones by a novel ADH from Ralstonia sp | The Journal of organic chemistry |
| 18505277 | 2008-06-01 | Exploiting nanospace for asymmetric catalysis: confinement of immobilized, single-site chiral catalysts enhances enantioselectivity | Accounts of chemical research |
| 17851400 | 2007-03-12 | N-methyl-(R)-3-(tert-butyl)-sulfinyl-1,4-dihydropyridine: a novel NADH model compound | Molecules (Basel, Switzerland) |
| 16671783 | 2006-05-11 | Unusual temperature dependence of enantioselectivity in asymmetric reductions by chiral NADH models | Organic letters |
| 16536625 | 2006-03-22 | Amine degradation by 4,5-epoxy-2-decenal in model systems | Journal of agricultural and food chemistry |
| 16388633 | 2006-01-06 | Synthesis, properties, and oxidizing ability of areno-annulated 1,3-dimethyl-10-phenylcyclohepta[4,5]pyrrolo[2,3-d]pyrimidine- 2,4(1,3H)-dionylium ions | The Journal of organic chemistry |
