N-Formylcytisine
Grundinformationen
- CAS
53007-06-0- Standard-SMILES
O=CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2- InChIKey
PCYQRXYBKKZUSR-VHSXEESVSA-N- Summenformel
- C12H14N2O2
- Durchschnittliche Molmasse
- 218,25 g/mol
- Monoisotopische Masse
- 218,10552769
Überblick
(-)-N-formylcytisine has been reported in Maackia tenuifolia, Thermopsis lanceolata, and other organisms with data available.
Namen und Bezeichner
- Bevorzugter Name
- N-Formylcytisine
- IUPAC
- (1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbaldehyde
- Englischer Name
- N-Formylcytisine
- Summenformel
- C12H14N2O2
- Molmasse
- 218.25
Namen und Synonyme
N-Formylcytisine53007-06-0RefChem:163404PCYQRXYBKKZUSR-UHFFFAOYSA-N(-)-N-Formylcytisine(1R,5S)-8-Oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbaldehyde(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbaldehyde6-oxo-7,11-diazatricyclo[7.3.1.0<2,7>]trideca-2,4-diene-11-carbaldehyde(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0?,?]trideca-2,4-diene-11-carbaldehyde1,5-Methano-2H-pyrido(1,2-a)(1,5)diazocine-3(4H)-carboxaldehyde, 1,5,6,8-tetrahydro-8-oxo-, (1R,5S)-1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxaldehyde, 1,5,6,8-tetrahydro-8-oxo-, (1R,5S)-; 1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxaldehyde, 1,5,6,8-tetrahydro-8-oxo-, (1R)-; (1R,5S)-1,5,6,8-Tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxaldehyde; (-)-N-Formylcytisine; N-Formylcytisineorb1296904
Weitere Namen anzeigen
O-formylcytisinePCYQRXYBKKZUSR-VHSXEESVSA-NN-Formylcytisine, 10 mM in DMSOZ)-4,6-dichloro-6-(4-chlorophenyl)-3,3-dimethylhex-5-en-2-one
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 40,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 400
Physikochemische Eigenschaften
- Schmelzpunkt
- 70 · l70-2°C
- Siedepunkt
- 512.8 · 512.8±49.0 °C(Predicted)
- Dichte
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- Löslichkeit
- Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 0 · 0.00±0.20(Predicted)
- Farbe
- White to Off-White
- Stabilität
- Hygroscopic
- InChI
- InChI=1S/C12H14N2O2/c15-8-13-5-9-4-10(7-13)11-2-1-3-12(16)14(11)6-9/h1-3,8-10H,4-7H2/t9-,10+/m0/s1
- InChIKey
- PCYQRXYBKKZUSR-VHSXEESVSA-N
- SMILES
- N12C(=O)C=CC=C1[C@]1([H])C[C@]([H])(C2)CN(C=O)C1
Chemie und Industrie
Anwendungen
BeschreibungThis derivative of cytisine has recently been isolated from Thermopsis chinensis. It yields colourless needles from CH2Cl2-Et20 and is laevorotatory having a specific rotation of [α]20 D- 233° (c 0.5, EtOH). It gives an ultraviolet spectrum in EtOH having absorption maxima at 232 and 309 nm.
VerwendenN-Formylcytisine is a derivative of Cytisine (C998500) that can be used as a ligand for neuronal nicotine receptors.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter44 Anbieter
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…