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Chemical structure of Thioquinapiperifil dihydrochloride

GC61943

Thioquinapiperifil dihydrochloride

Also known as 3-ethyl-8-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride

Thioquinapiperifil dihydrochloride (KF31327), a potent, selective and non-competitive phosphodiesterase-5 (PDE-5, IC50 of 0·074 nM) inhibitor, is used for sexual enhancement study

ChemicalCAS204077-66-7MW521.51FormulaC24H30Cl2N6OS
CAS number
204077-66-7
Molecular weight
521.51
Formula
C24H30Cl2N6OS
Solubility
DMSO ： 125 mg/mL (239·69 mM)
InChIKey
YWGNFHIWAHNADT-UHFFFAOYSA-N
Catalogue number
GC61943
Brand
GLPBIO
Computed properties PubChem CID 9828075 · TPSA 109 Ų · H-bond donors 5 · H-bond acceptors 6
TPSA
109 Ų
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
34

SMILES CCN1C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=CC=C4N5CCC(CC5)CO)NC1=S.Cl.Cl

Computed descriptors from PubChem (CID 9828075), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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