16-Epivincamine
Grundinformationen
- CAS
83508-82-1- Standard-SMILES
CC[C@@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32- InChIKey
RXPRRQLKFXBCSJ-NRSPTQNISA-N- Summenformel
- C21H26N2O3
- Durchschnittliche Molmasse
- 354,4 g/mol
Überblick
16-epivincamine has been reported in Vinca minor and Tabernaemontana muricata with data available.
Namen und Bezeichner
- Bevorzugter Name
- 16-Epivincamine
- IUPAC
- methyl (15R,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
- Englischer Name
- methyl (41S,12S,13aR)-13a-ethyl-12-hydroxy-2,3,41,5,6,12,13,13a-octahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate
- Summenformel
- C21H26N2O3
- Molmasse
- 354.45
Namen und Synonyme
83508-82-116-EpivincamineVinpocetine Impurity J(3S,14S,16R)-VincamineMETHYL (41S,12S,13AR)-13A-ETHYL-12-HYDROXY-2,3,41,5,6,12,13,13A-OCTAHYDRO-1H-INDOLO[3,2,1-DE]PYRIDO[3,2,1-IJ][1,5]NAPHTHYRIDINE-12-CARBOXYLATEmethyl (15R,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate(41S,12S,13aR)-methyl 13a-ethyl-12-hydroxy-2,3,41,5,6,12,13,13a-octahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylateF19254(3S,14S,16R)-Vincamine; Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3a,14ss)- (9CI); 1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine, eburnamenine-14-carboxylic acid deriv.; (-)-trans-Epivincamine; (3S,14S,16R)-Vincamine; (3a,14ss)-14,15-DihydrMETHYL(41S,12S,13AR)-13A-ETHYL-12-HYDROXY-2,3,41,5,6,12,13,13A-OCTAHYDRO-1H-INDOLO[3,2,1-DE]PYRIDO[3,2,1-IJ][1,5]NAPHTHYRIDINE-12-CARBOXYLATEVinpocetine-10Vincamine Impurity 12
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Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 54,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 598
Physikochemische Eigenschaften
- Siedepunkt
- 508.9 · 508.9±50.0 °C(Predicted)
- Dichte
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 12.13 · 12.13±0.40(Predicted)
Chemie und Industrie
Anwendungen
Verwenden(3S,14S,16R)-Vincamine is a diastereomer of Vincamine (V314030) which is often used as a nootropic agent to combat the effects of aging, or in conjunction with other nootropics (such as piracetam) for a variety of purposes. Vincamine is a peripheral vasodilator that increases blood flow to the brain.
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