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Chemical structure of 3-Bromocytisine

GC11757

3-Bromocytisine

Also known as (1S,9R)-5-bromo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

α4β4, α4β2 and α7 nACh receptor agonist

ChemicalCAS207390-14-5MW269.14FormulaC11H13BrN2O
CAS number
207390-14-5
Molecular weight
269.14
Formula
C11H13BrN2O
Solubility
＜26·91mg/ml in Water; ＜26·91mg/ml in DMSO
InChIKey
DWDCLEHDNICBMI-SFYZADRCSA-N
Catalogue number
GC11757
Brand
GLPBIO
Computed properties PubChem CID 10221042 · XLogP 1.1 · TPSA 32.3 Ų · H-bond donors 1
XLogP
1.1
TPSA
32.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
15

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

Computed descriptors from PubChem (CID 10221042), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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