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Chemical structure of N-Formylcytisine

GC61126

N-Formylcytisine

Also known as (1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbaldehyde

N-Formylcytisine is a cytisine-type alkaloid from the stem bark of Maackia amurensis

ChemicalCAS53007-06-0MW218.25FormulaC12H14N2O2
CAS number
53007-06-0
Molecular weight
218.25
Formula
C12H14N2O2
Solubility
DMSO ： 100 mg/mL (458·19 mM; Need ultrasonic)
InChIKey
PCYQRXYBKKZUSR-VHSXEESVSA-N
Catalogue number
GC61126
Brand
GLPBIO
Computed properties PubChem CID 179619 · XLogP 0.1 · TPSA 40.6 Ų · H-bond donors 0
XLogP
0.1
TPSA
40.6 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
16

SMILES C1[C@H]2CN(C[C@@H]1C3=CC=CC(=O)N3C2)C=O

Computed descriptors from PubChem (CID 179619), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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