Basic information
- CAS
5053-06-5- Standard SMILES
O=C1NCC2(CCN(CCc3ccccc3)CC2)O1- InChIKey
FVNFBBAOMBJTST-UHFFFAOYSA-N- Molecular formula
- C15H20N2O2
- Average molar mass
- 260.33 g/mol
- Monoisotopic mass
- 260.15247789
Overview
8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is an azaspiro compound.
Names & identifiers
- Preferred name
- Fenspiride
- IUPAC
- 8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
- English name
- fenspiride
- Molecular formula
- C15H20N2O2
- Molecular weight
- 260.33
Names & synonyms
fenspiride5053-06-5EurespalFenspiridaViarespanFenspiridumS983QC7HKMPneumorelDTXSID40230481-Oxa-3,8-diazaspiro(4,5)decan-2-one, 8-(2-phenylethyl)-RefChem:1402083612-S
Show more names
DESPFUBMN24FUB-MN24FenspiridFenspiride-d5fenspiride USP/EP/BP8-phenethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-onePharmaceutical intermediates BKEDBP BKEDBP bkedbp
DTXCID703048R03BX01R03DX031-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-phenylethyl)-225-751-3DecaspirideRespiride8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Database identifiers
- CAS
5053-06-5- PubChem CID
- 3344
- DTXSID
DTXSID4023048- ChEMBL
CHEMBL576127- ChEBI
CHEBI:94558- UNII
- S983QC7HKM
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 318
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Human DrugsPharmaceuticals
Melting Point232-233
Collision Cross Section150.33 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Boiling point
- 126 · 126-127 °C(Press: 2 Torr)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 12.44 · 12.44±0.20(Predicted)
- form
- Solid:particulate/powder
- color
- White to off-white
- LogP
- 1.798 · 1.798-1.802 at 20℃ and pH6
- FDA UNII
- 983 QC7HKM · S983QC7HKM
- ATC code
- 3 BX01,R03DX03 · R03BX01,R03DX03
- Symbol(GHS)
- 8 · GHS08,GHS07
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]
P203, P264, P270, P273, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Fenspiride (EC: 225-751-3)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS07
- Hazard statements
- H412-H302-H361
- REACH Registrations
- Active
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501-P273-P501
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
R - Respiratory system
QR - Respiratory system
QR - Respiratory system
MeSH Pharmacological ClassificationAgents that cause an increase in the expansion of a bronchus or bronchial tubes.
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesBronchodilator;anti-adrenergic (β-receptor).
Upstream & downstream products
Upstream raw materials
Suppliers55 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
奥夫仑医药（四川）有限公司17336178085 · [email protected]
Hebei baicao biology science and technology co., ltd+86-19131911055 17824879454 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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