Glycopyrronium Bromide EP Impurity K - CAS 3900-93-4
Catalog: |
BB023824 |
Product Name: |
Glycopyrronium Bromide EP Impurity K |
CAS: |
3900-93-4 |
Synonyms: |
α-Cyclopentylphenylacetic Acid; alpha-Phenylcyclopentylacetic acid; Cyclopentylphenylacetic acid |
IUPAC Name: | 2-cyclopentyl-2-phenylacetic acid |
Description: | An impurity of Glycopyrrolate, which is an anticholinergic agent with antispasmodic activity used to treat gastrointestinal conditions associated. |
Molecular Weight: | 204.26 |
Molecular Formula: | C13H16O2 |
Canonical SMILES: | C1CCC(C1)C(C2=CC=CC=C2)C(=O)O |
InChI: | InChI=1S/C13H16O2/c14-13(15)12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H,14,15) |
InChI Key: | BCJIDGDYYYBNNB-UHFFFAOYSA-N |
Boiling Point: | 302.8 ℃ (Predicted) |
Melting Point: | 98-100 ℃ |
Purity: | > 98 % |
Density: | 1.040 g/cm3 (Predicted) |
Solubility: | Soluble in Methanol, DMSO, Acetone, Acetonitrile |
Appearance: | Off-white solid |
Storage: | RT |
MDL: | MFCD00001379 |
LogP: | 3.04500 |
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-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
WO-2020235665-A1 | Crystalline form of sofpironium bromide and preparation method thereof | 20190523 |
US-2021171460-A1 | Crystalline form of sofpironium bromide and preparation method thereof | 20190523 |
CN-111517902-A | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof | 20190201 |
WO-2020155595-A1 | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photocatalytic oxidation method therefor | 20190201 |
PMID | Publication Date | Title | Journal |
11878186 | 20020201 | Design, pharmacokinetic, and pharmacodynamic evaluation of soft anticholinergics based on tropyl alpha-phenylcyclopentylacetate | Die Pharmazie |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.115029749 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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