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Trequinsin hydrochloride

CAT: 1410-M15958-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Trequinsin hydrochloride (HL 725) is a potent, cell-permeable, orally active inhibitor of cGMP-inhibited phosphodiesterase (PCE3 IC50=250 pM) .
CAS Number
78416-81-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
441.956
Molecular Formula
C24H28ClN3O3
Notes
Research use only, not for human use.
Receptor
PDE

Chemical Information

4H-Pyrimido[6,1-a]isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-, hydrochloride (1:1)
CAS Number78416-81-6
PubChem CID3060974
IUPAC Name9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride
Molecular FormulaC24H28ClN3O3
Molecular Weight441.9
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity708
SMILES
CC1=CC(=C(C(=C1)C)N=C2C=C3C4=CC(=C(C=C4CCN3C(=O)N2C)OC)OC)C.Cl
InChI
InChI=1S/C24H27N3O3.ClH/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4;/h9-13H,7-8H2,1-6H3;1H
InChIKey
DTCZZBVPTHVXFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4H-Pyrimido[6,1-a]isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-, hydrochloride (1:1)
CAS: 78416-81-6
CID: 3060974
Formula: C24H28ClN3O3
MW: 441.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight441.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass441.1819195
Monoisotopic Mass441.1819195
Topological Polar Surface Area54.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity708
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes