Basic information
- CAS
87827-02-9- Standard SMILES
OC(COC1CN2CCC1CC2)(c1ccccc1)C1CCCC1- InChIKey
GTKRIWMDLNOSLI-UHFFFAOYSA-N- Molecular formula
- C20H29NO2
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.21982917
Overview
Penequinine, Penehyclidine is under investigation in clinical trial NCT02644876 (Preventive Effects of Penehyclidine Hydrochloride Inhalation on Postoperative Pulmonary Complications).
Names & identifiers
- Preferred name
- Penehyclidine
- IUPAC
- 2-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-cyclopentyl-1-phenylethanol
- English name
- M 8218
- Molecular formula
- C20H29NO2
- Molecular weight
- 315.45
Names & synonyms
Penehyclidine87827-02-9PenequininePenequinePenethequinineM 8218353CX8CSHDM-8218P80183-Quinuclidinyloxy-2,2,2-(hydroxy-cylcopentane-phenyl)ethaneBenzenemethanol, alpha-((1-azabicyclo(2.2.2)oct-3-yloxy)methyl)-alpha-cyclopentyl-Benzenemethanol, alpha-((1-azabicyclo(2.2.2)oct-3-yloxy)methyl)-alpha-cyclopentyl-, hydrochloride
Show more names
BENC-003M 8218 / PenehyclidineBenzenemethanol, α-[(1-azabicyclo[2.2.2]oct-3-yloxy)methyl]-α-cyclopentyl-benzeneMethanol, a-[(1-azabicyclo[2.2.2]oct-3-yloxy)Methyl]-a-cyclopentyl- hydrochloride
RefChem:1707820P1E1UF04I1-Cyclopentyl-1-phenyl-2-(quinuclidin-3-yloxy)ethanol2-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-cyclopentyl-1-phenylethanolUNII-353CX8CSHD2-(1-AZABICYCLO(2.2.2)OCTAN-3-YLOXY)-1-CYCLOPENTYL-1-PHENYLETHANOLPenehyclidine Impurity N1Penequinine, Penehyclidine
Database identifiers
- CAS
87827-02-9
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- Boiling point
- 461 · 461.0±35.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 13 · 13+-.0.29(Predicted)
- FDA UNII
- 353 CX8CSHD · 353CX8CSHD
Chemistry & industry
Applications
UsesPenehyclidine, a anticholinergic agent, is a selective antagonist of M1 and M3 receptors. Penehyclidine activates NF-kβ in lung tissue and inhibits the release of inflammatory factors. Penehyclidine can alleviate the pulmonary inflammatory response in rats with chronic obstructive pulmonary disease (COPD) undergoing mechanical ventilation[1][2].
Suppliers16 total
济南百隆化学有限公司[email protected] · [email protected]
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
成都叮当时代医药科技有限公司
Related reactions
0 records
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Compound notes
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