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Chemical structure of DREADD agonist 21

GC30849

DREADD agonist 21

Also known as 6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine

A muscarinic hM3Dq DREADD agonist

ChemicalCAS56296-18-5MW278.35FormulaC17H18N4
CAS number
56296-18-5
Molecular weight
278.35
Formula
C17H18N4
Solubility
DMSO ： ≥ 78 mg/mL (280·22 mM)
InChIKey
JCBYXNSOLUVGTF-UHFFFAOYSA-N
Catalogue number
GC30849
Brand
GLPBIO
Computed properties PubChem CID 11818276 · XLogP 2 · TPSA 39.7 Ų · H-bond donors 2
XLogP
2
TPSA
39.7 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
21

SMILES C1CN(CCN1)C2=NC3=CC=CC=C3NC4=CC=CC=C42

Computed descriptors from PubChem (CID 11818276), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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