Grundinformationen
- Standard-SMILES
COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1OC- InChIKey
KGPAYJZAMGEDIQ-KRWDZBQOSA-N- Summenformel
- C21H27NO4
- Durchschnittliche Molmasse
- 357,4 g/mol
- Monoisotopische Masse
- 357,19400834
Namen und Bezeichner
- Bevorzugter Name
- Laudanosine
- IUPAC
- (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
- Lokaler Name
- Laudanosin
- Englischer Name
- laudanosine
- Summenformel
- C21H27NO4
- Molmasse
- 357.44
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
2688-77-9- PubChem CID
- 73397
- DTXSID
DTXSID30878577- ChEMBL
CHEMBL1407、CHEMBL519894- ChEBI
CHEBI:6389- UNII
- DA7R5WVN48
- EC Number
- 220-253-2
- Nikkaji
- J14.884I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 40,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 434
Physikochemische Eigenschaften
- Schmelzpunkt
- 89 ° · 89°
- Siedepunkt
- 490.07 °C · 490.07°C (rough estimate)
- Dichte
- 1.1729 · 1.1729 (rough estimate)
- Brechungsindex
- 1.5614 · 1.5614 (estimate)
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly, Sonicated)
- Aggregatzustand
- White to Pale Beige
- pka
- 7.8 · 7.80±0.40(Predicted)
- Farbe
- White to off-white
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
A class of drugs producing both physiological and psychological effects through a variety of mechanisms. They can be divided into specific agents, e.g., affecting an identifiable molecular mechanism unique to target cells bearing receptors for that agent, and nonspecific agents, those producing effects on different target cells and acting by diverse molecular mechanisms. Those with nonspecific mechanisms are generally further classed according to whether they produce behavioral depression or stimulation. Those with specific mechanisms are classed by locus of action or specific therapeutic use. (From Gilman AG, et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed, p252)
Anwendungen
VerwendenLaudanosine is a metabolite of the neuromuscular-blocking drugs Atracurium (A794500) and Cisatracurium (C496700) with potentially toxic systemic effects. It crosses the blood-brain barrier and may cause excitement and seizure activity.
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