6-Hydroxy-1,2,3,4-tetrahydro-beta-carboline
Grundinformationen
- CAS
23778-34-9- Standard-SMILES
Oc1ccc2[nH]c3c(c2c1)CCNC3- InChIKey
HASNCBJLQYTILW-UHFFFAOYSA-N- Summenformel
- C11H12N2O
- Durchschnittliche Molmasse
- 188,23 g/mol
- Monoisotopische Masse
- 188,094963
Überblick
6-Hydroxytetrahydro-beta-carboline is a member of beta-carbolines. It has a role as a metabolite.
Namen und Bezeichner
- Bevorzugter Name
- 6-Hydroxy-1,2,3,4-tetrahydro-beta-carboline
- IUPAC
- 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
- Englischer Name
- 5-hydroxytryptoline
- Summenformel
- C11H12N2O
- Molmasse
- 188.23
Namen und Synonyme
5-Hydroxytryptoline23778-34-92,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol6-hydroxytryptoline6-hydroxytetrahydro-beta-carboline2,3,4,9-Tetrahydro-1H-pyrido(3,4-b)indol-6-olDTXSID301784636-Hydroxy-1,2,3,4-tetrahydro-beta-carboline5-hydroxy-9H-1,2,3,4-tetrahydropyrido(3,4-b)indole6-hydroxytetrahydronornarmaneRefChem:913948DTXCID60100954
Weitere Namen anzeigen
6-Hydroxy-1,2,3,4-tetrahydro-β-carboline1,2,3,4-Tetrahydro-9H-pyrido[3,4-b]indole-6-ol2,3,4,9-tetrahydro-1H-pyridino [3,4-B] indole-6-alcohol
PlectocomineMFCD016902911H-Pyrido[3,4-b]indol-6-ol, 2,3,4,9-tetrahydro-1H-Pyrido(3,4-b)indol-6-ol, 2,3,4,9-tetrahydro-6-Hydroxytetrahydronorharmane5-Hydroxytetrahydro-beta-carbolineBRN 06438721H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOL-6-OL
Datenbank-Bezeichner
- CAS
23778-34-9- PubChem CID
- 159959
- DTXSID
DTXSID30178463- ChEBI
CHEBI:69060- Nikkaji
- J53.905H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 48,1 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 221
Physikochemische Eigenschaften
- Schmelzpunkt
- 294 °C · 294°C
Sicherheit und Regulatorisches
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites1H,2H,3H,4H,9H-pyrido[3,4]indol-6-ol is a known human metabolite of pinoline.
Anwendungen
BeschreibungThe dried fruit of Plectocorniopsis gerninijZorus contain this carboline alkaloid to the extent of 0.07 per cent. It yields a crystalline hydrochloride and sulphate, both above 300°C; the acetate, m.p. 293-5°C, picrate, m.p. 240°C and the O,N_x0002_diacetyl derivative, m.p. l68-170°C. The assigned structure, based upon spectroscopic data, has been confirmed by demethylation of 6-methoxytetrahydro-(3- carboline to give the alkaloid.
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