8-[2-(2H5)phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride

• ChemBase ID: 168929
• Molecular Formular: C15H21ClN2O2
• Molecular Mass: 296.79244
• Monoisotopic Mass: 296.1291556
• SMILES: C1N(CCC2(C1)CNC(=O)O2)CCc1ccccc1.Cl
• Canonical SMILES: O=C1NCC2(O1)CCN(CC2)CCc1ccccc1.Cl
• InChI: InChI=1S/C15H20N2O2.ClH/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13;/h1-5H,6-12H2,(H,16,18);1H
• InChIKey: FIKFLLIUPUVONI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[2-(^2H₅)phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride
• IUPAC Traditional name: 8-[2-(^2H₅)phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride
• Synonyms: 8-[2-(Phenyl-d5)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one Hydrochloride; Decaspir-d5; Decaspiride-d5; Erespal-d5; Fluiden-d5; JP 428-d5; NAT 333-d5; NDR 5998A-d5; Pneumorel-d5; Tegencia-d5; Viarespan-d5; Fenspiride-d5 Hydrochloride

Database IDs

• PubChem SID: 162263061
• PubChem CID: 57369488

CALCULATED PROPERTIES

• Acid pKa: 13.288928
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5813774
• LogD (pH = 7.4): 0.025199238
• Log P: 1.604863
• Molar Refractivity: 73.7255 cm^3
• Polarizability: 28.814207 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - F265002

Labelled Fenspiride. Bronchodilator with anti-inflammatory properties. Inhibits mucus secretion and reduces the release of tachykinins at a prejunctional level by its anti-muscarinic action. It also may be an antagonist at α adrenergic and H1 histamine re

REFERENCES

• LeDouarec, et al.: Arzneim.-Forsch., 19, 1263 (1969)
• Lho, D., et al.: J. Anal. Toxicol., 14, 73 (1969)
• Dallakian, P., et al.: J. Anal. Toxicol., 20, 255 (1969)