1-(4-Ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane
Grundinformationen
- CAS
108614-26-2- Standard-SMILES
C#Cc1ccc(C23OCC(CCC)(CO2)CO3)cc1- InChIKey
HFUCNMPQEAYQDJ-UHFFFAOYSA-N- Summenformel
- C16H18O3
- Durchschnittliche Molmasse
- 258,31 g/mol
- Monoisotopische Masse
- 258,12559444
Überblick
GABA(A) receptor ligand for autoradiography
Namen und Bezeichner
- Bevorzugter Name
- 1-(4-Ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane
- IUPAC
- 1-(4-ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
- Englischer Name
- 1-(4-ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane
- Summenformel
- C16H18O3
- Molmasse
- 258.31
Namen und Synonyme
EBOB108614-26-21-(4-Ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane1-(4-ETHYNYLPHENYL)-4-PROPYL-2,6,7-TRIOXABICYCLO[2.2.2]OCTANEVGI6L0G4CG(3H)EBOBDTXSID201486354-propyl-4'-ethynyl-bicycloorthobenzoate4'-ethynyl-4-n-propylbicycloorthobenzoate2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-propyl-3HaEBOBEBOB-3H
Weitere Namen anzeigen
2,6,7-Trioxabicyclo[2.2.2]octane, 1-(4-ethynylphenyl)-4-propyl-
RefChem:74476DTXCID0071126866-614-32,6,7-Trioxabicyclo[2.2.2]octane,1-(4-ethynylphenyl)-4-propyl-1-(4-Ethynylphenyl)-4-n-propyl-2,6,7-trioxabicyclo(2.2.2)octaneHFUCNMPQEAYQDJ-UHFFFAOYSA-NBRN 36192811-(4-ethynylphenyl)-4-n-propyl-2,6,7-trioxabicyclo[2.2.2]octane
Datenbank-Bezeichner
- CAS
108614-26-2- PubChem CID
- 115223
- DTXSID
DTXSID20148635- ChEMBL
CHEMBL2288583- UNII
- VGI6L0G4CG
- EC Number
- 866-614-3
- Nikkaji
- J481.171B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 27,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 348
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Analogs of those substrates or compounds which bind naturally at the active sites of proteins, enzymes, antibodies, steroids, or physiological receptors. These analogs form a stable covalent bond at the binding site, thereby acting as inhibitors of the proteins or steroids.
Pesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics.
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