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5053-08-7,5053-06-5(freebase) molecular structure
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8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride

ChemBase ID: 130757
Molecular Formular: C15H21ClN2O2
Molecular Mass: 296.79244
Monoisotopic Mass: 296.1291556
SMILES and InChIs

SMILES:
c1ccc(cc1)CCN1CCC2(CC1)CNC(=O)O2.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

Cite this record

CBID:130757 http://www.chembase.cn/molecule-130757.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride
IUPAC Traditional name
fenspiride hydrochloride
Synonyms
Fenspiride HCl Fenspiride HCl
JP 428
NAT 333
NDR 5998A
Pneumorel
Tegencia
Viarespan
Fenspiride Hydrochloride
8-(2-Phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one Hydrochloride
Decaspir
Decaspiride
Erespal
Fluiden
Fenspiride hydrochloride
8-(2-苯乙基)-1-氧杂-3,8-二氮杂螺[4.5]癸烷-2-酮 盐酸盐
芬司匹利 盐酸盐
CAS Number
5053-08-7,5053-06-5(freebase)
5053-08-7
EC Number
225-752-9
MDL Number
MFCD00133315
PubChem SID
162225035
24278436
PubChem CID
68626

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 68626 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.288928  H Acceptors
H Donor LogD (pH = 5.5) -1.5813774 
LogD (pH = 7.4) 0.025199238  Log P 1.604863 
Molar Refractivity 73.7255 cm3 Polarizability 28.793438 Å3
Polar Surface Area 41.57 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Apperance
Pale Yellow Solid expand Show data source
white powder expand Show data source
Melting Point
235-238°C (dec.) expand Show data source
Storage Condition
Refrigerator expand Show data source
RTECS
RO0375000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22 expand Show data source
Safety Statements
36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H332 expand Show data source
GHS Precautionary statements
P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Target
Others expand Show data source
Gene Information
human ... ADRA1A(148), ADRA1B(147), ADRA1D(146), ADRA2A(150), ADRA2B(151), ADRA2C(152), HRH1(3269) expand Show data source
Purity
>99% (TLC) expand Show data source
Grade
analytical standard, for drug analysis expand Show data source
Salt Data
HCl expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - F6145 external link
Biochem/physiol Actions
具有抗炎功能的支气管扩张药。通过其抗毒蕈碱作用,在接头前水平抑制黏液分泌并降低速激肽的释放。它还可以是 α 肾上腺素和 H1 组胺受体的拮抗剂
Toronto Research Chemicals - F265000 external link
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 receptors.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • 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)
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PATENTS

PATENTS

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INTERNET

INTERNET

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