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Chemical structure of U-101017 (PNU 101017)

GC31013

U-101017 (PNU 101017)

Also known as tert-butyl 7-chloro-5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]imidazo[1,5-a]quinoline-3-carboxylate

U-101017 (PNU 101017) is a partial agonist of benzodiazepine receptor and GABAA receptor, with anxiolytic effects

ChemicalCAS170568-47-5MW442.94FormulaC23H27ClN4O3
CAS number
170568-47-5
Molecular weight
442.94
Formula
C23H27ClN4O3
Solubility
Soluble in DMSO
InChIKey
JOJRKTAQXYPHBT-OKILXGFUSA-N
Catalogue number
GC31013
Brand
GLPBIO
Computed properties PubChem CID 9868017 · XLogP 4.7 · TPSA 75.9 Ų · H-bond donors 1
XLogP
4.7
TPSA
75.9 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
31

SMILES C[C@@H]1CN(C[C@@H](N1)C)C(=O)C2=CC3=C(N=CN3C4=C2C=C(C=C4)Cl)C(=O)OC(C)(C)C

Computed descriptors from PubChem (CID 9868017), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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