| Identification | Back Directory | [Name]
N-Formylcytisine | [CAS]
53007-06-0 | [Synonyms]
N-Formylcytisine
O-formylcytisine
PCYQRXYBKKZUSR-VHSXEESVSA-N
[1R,(-)]-3-Formyl-1,2,3,4,5,6-hexahydro-1α,5α-methano-8H-pyrido[1,2-a][1,5]diazocine-8-one
1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxaldehyde, 1,5,6,8-tetrahydro-8-oxo-, (1R,5S)- | [Molecular Formula]
C12H14N2O2 | [MDL Number]
MFCD34168705 | [MOL File]
53007-06-0.mol | [Molecular Weight]
218.25 |
| Chemical Properties | Back Directory | [Melting point ]
l70-2°C | [Boiling point ]
512.8±49.0 °C(Predicted) | [density ]
1.31±0.1 g/cm3(Predicted) | [storage temp. ]
Hygroscopic, -20°C Freezer, Under inert atmosphere | [solubility ]
Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
0.00±0.20(Predicted) | [color ]
White to Off-White | [Stability:]
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 |
| Hazard Information | Back Directory | [Description]
This 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. | [Uses]
N-Formylcytisine is a derivative of Cytisine (C998500) that can be used as a ligand for neuronal nicotine receptors. | [References]
Chimiya et ai., Phytochem., 13,643 (1974) |
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