ChemicalBook--->CAS DataBase List--->53007-06-0

53007-06-0

53007-06-0 Structure

53007-06-0 Structure
IdentificationBack 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 PropertiesBack 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 InformationBack 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)
Spectrum DetailBack Directory
[Spectrum Detail]

N-Formylcytisine(53007-06-0)1HNMR
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