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Chemical structure of DREADD agonist 21 dihydrochloride

GC50446

DREADD agonist 21 dihydrochloride

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

Potent muscarinic DREADD agonist; water soluble version of DREADD agonist 21

ChemicalCAS2250025-92-2MW351.27FormulaC17H18N4·2HCl
CAS number
2250025-92-2
Molecular weight
351.27
Formula
C17H18N4·2HCl
Solubility
DMSO ： 200 mg/mL (569·36 mM; ultrasonic and warming and heat to 60°C); H2O ： 100 mg/mL (284·68 mM; Need ultrasonic)
InChIKey
SETCOPAXYQJWKI-UHFFFAOYSA-N
Catalogue number
GC50446
Brand
GLPBIO
Computed properties PubChem CID 134812837 · TPSA 39.7 Ų · H-bond donors 4 · H-bond acceptors 3
TPSA
39.7 Ų
H-bond donors
4
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
23

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

Computed descriptors from PubChem (CID 134812837), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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