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Chemical structure of DR 4485 hydrochloride

GC10679

DR 4485 hydrochloride

Also known as 6-chloro-2a-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one;hydrochloride

DR4485 (hydrochloride) is an orally active and selective 5-HT7 antagonist (pKi=8·14)

ChemicalCAS402942-53-4MW491.88FormulaC26H28Cl2N2O·HCl
CAS number
402942-53-4
Molecular weight
491.88
Formula
C26H28Cl2N2O·HCl
Solubility
＜49·19mg/ml in DMSO
InChIKey
QAERYGXKDZHTFR-UHFFFAOYSA-N
Catalogue number
GC10679
Brand
GLPBIO
Computed properties PubChem CID 90488996 · TPSA 32.3 Ų · H-bond donors 2 · H-bond acceptors 2
TPSA
32.3 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
32

SMILES C1CC2=C(C=CC3=C2C(C1)(C(=O)N3)CCCCN4CCC(=CC4)C5=CC=C(C=C5)Cl)Cl.Cl

Computed descriptors from PubChem (CID 90488996), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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