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Chemical structure of Antidepressant agent 1

GC60050

Antidepressant agent 1

Also known as 12-bromo-4-ethyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene

Antidepressant agent 1 is a pyrazidole-halogeno-derivative with antidepressant effects

ChemicalCAS67411-41-0MW319.24FormulaC16H19BrN2
CAS number
67411-41-0
Molecular weight
319.24
Formula
C16H19BrN2
Solubility
DMSO： 8·93 mg/mL (27·97 mM)
InChIKey
VRTKXFMWBVSAET-UHFFFAOYSA-N
Catalogue number
GC60050
Brand
GLPBIO
Computed properties PubChem CID 2882138 · XLogP 3.4 · TPSA 8.2 Ų · H-bond donors 0
XLogP
3.4
TPSA
8.2 Ų
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
19

SMILES CCN1CCN2C3=C(C=C(C=C3)Br)C4=C2C1CCC4

Computed descriptors from PubChem (CID 2882138), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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