Grundinformationen
- CAS
523-01-3- Standard-SMILES
CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1CC1=NCCc2cc(OC)c(OC)cc21- InChIKey
FBRKYRSUSJWLHH-HMHJJOSWSA-N- Summenformel
- C29H38N2O4
- Durchschnittliche Molmasse
- 478,6 g/mol
- Monoisotopische Masse
- 478,2831577
Überblick
O-Methylpsychotrine is a member of isoquinolines.
Namen und Bezeichner
- Bevorzugter Name
- Methylpsychotrine
- IUPAC
- (2R,3R,11bS)-2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
- Lokaler Name
- Emetan, 1',2'-Didehydro-6',7',10,11-tetramethoxy-
- Englischer Name
- Emetan, 1',2'-didehydro-6',7',10,11-tetramethoxy-
- Summenformel
- C29H38N2O4
- Molmasse
- 478.62302
Namen und Synonyme
O-MethylpsychotrineMethylpsychotrineMethylpsychotrin1',2'-Dehydroemetin523-01-3V7C64CD3BRO-methyl-psychotrineDTXSID70200318(2R,3R,11bS)-2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine(2R,3R,11bS)-2-((6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo(a)quinolizineRefChem:167271DTXCID70122809
Weitere Namen anzeigen
1',2'-Didehydro-6',7',10,11-tetramethoxyemetan(2R,3R,11bS)-2-[(6,7-Dimethoxy-3,4-dihydroisoquinoline-1-yl)methyl]-3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-benzo[a]quinolizine(2R,3R,11bS)-2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinoline
208-339-8Emetan, 1',2'-didehydro-6',7',10,11-tetramethoxy-CHEMBL471812CHEBI:81067EINECS 208-339-8UNII-V7C64CD3BR2H-BENZO(A)QUINOLIZINE, 2-((3,4-DIHYDRO-6,7-DIMETHOXY-1-ISOQUINOLINYL)METHYL)-3-ETHYL-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-, (2R,3R,11BS)-2H-Benzo[a]quinolizine, 2-[(3,4-dihydro-6,7-dimethoxy-1-isoquinolinyl)methyl]-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-, (2R,3R,11bS)-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,6
- Polarare Oberfläche (TPSA)
- 52,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 35
- Formalladung
- 0
- Komplexität
- 731
Experimentelle und physikochemische Eigenschaften
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 123 · 123-4°C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- ridadr
- 1544
- hazard_class
- 6.1(b)
- packing_group
- III
Chemie und Industrie
Anwendungen
BeschreibungPyman first obtained this alkaloid from the non-phenolic fraction of the total alkaloids remaining after the removal of Emetine (q.v.) as the hydrobromide. So far, it has only been found in Cephaelis Ipecacuanha (Brot) A. Rich. The alkaloid may be separated from the accompanying emetamine by virtue of the fact that it is removed first by dilute HCl or H2S04 from a mixture of the two bases in CHC13. It crystallizes from hot Et20 as colourless prisms and has [c:do + 43.2° (EtOH). The salts and derivatives crystallize well, e.g. the hydro bromide tetrahydrate, pale yellow needles, m.p. 190-200°C (dry); [α]D + 48.0° (H20); the sulphate which may be obtained as the monohydrate from EtOH or the heptahydrate from H20, m.p. 247°C (dry, dec.); [α]D + 54.1° (H20); hydrogen oxalate, m.p. 150-162°C (dec.); [α]D + 45.9° (H20) and the picrate, octagonal plates from Me2CO which melts over a wide range from 142-175°C. The alkaloid gives a green colour with Frohde's reagent and dilute aqueous solutions of its salts are fluorescent.
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