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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H13BrN2O
Molecular Weight 269.138
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-BROMOCYTISINE

SMILES

[H][C@@]12CNC[C@@]([H])(C1)C3=CC=C(Br)C(=O)N3C2

InChI

InChIKey=DWDCLEHDNICBMI-JGVFFNPUSA-N
InChI=1S/C11H13BrN2O/c12-9-1-2-10-8-3-7(4-13-5-8)6-14(10)11(9)15/h1-2,7-8,13H,3-6H2/t7-,8+/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H13BrN2O
Molecular Weight 269.138
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
0.3 nM [IC50]
31.6 nM [IC50]
0.28 nM [IC50]
Substance Class Chemical
Record UNII
PL64C996QA
Record Status Validated (UNII)
Record Version