Fenspiride Hydrochloride
Basic information
- CAS
5053-08-7- Standard SMILES
Cl.O=C1NCC2(CCN(CCc3ccccc3)CC2)O1- InChIKey
FIKFLLIUPUVONI-UHFFFAOYSA-N- Molecular formula
- C15H21ClN2O2
- Average molar mass
- 296.79 g/mol
- Monoisotopic mass
- 296.1291556
Overview
See also: Fenspiride (has active moiety).
Names & identifiers
- Preferred name
- Fenspiride Hydrochloride
- IUPAC
- 8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
- English name
- Fenspiride hydrochloride
- Molecular formula
- C15H21ClN2O2
- Molecular weight
- 296.8
Names & synonyms
Fenspiride hydrochloride5053-08-7Fenspiride HClNDR-5998ANAT-333DTXSID3045770NSC-757825832NBX878VDTXCID1025770RefChem:140209225-752-9Fenspiride (Hydrochloride)
Show more names
jp428ErespalNAT 333espiranTegenciaDecaspirpneumorelViarespanNDR 5998A
JP 428MFCD001333158-(2-Phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochlorideFenspiride hydrochloride [USAN]8-Phenethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride2-OXAZOLIDINONE-5-SPIRO-4'-[N-(2-PHENYLETHYL)PIPERIDINE] HYDROCHLORIDEFluiden8-(2-Phenylethyl)-1-oxa-3,8-diazaspiro(4.5)decan-2-one hydrochloride
Database identifiers
- CAS
5053-08-7- PubChem CID
- 68626
- DTXSID
DTXSID3045770- ChEMBL
CHEMBL1256849- UNII
- 832NBX878V
- EC Number
- 225-752-9
Properties
Computed structural properties
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 318
Experimental & physicochemical properties
Solubility>44.5 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section148.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 235 · 235-238°C (dec.)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- form
- powder
- color
- white
- FDA UNII
- 832 NBX878V · 832NBX878V
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H332-H312
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
- Hazard Codes
- Xn
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- rtecs
- RO0375000
- hs_code
- 2934.99.3000
- Toxicity
- LD50 i.v. in mice: 106 mg/kg; orally in rats: 437 mg/kg (LeDouarec)
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Hazard statements
- H302-H332-H312
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationAgents that cause an increase in the expansion of a bronchus or bronchial tubes.
Applications
UsesAntiinflammatory;Bradykinin antagonist
UsesBronchodilator 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.
Upstream & downstream products
Upstream raw materials
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Compound notes
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