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Vardenafil HCl Trihydrate

CAT: 1568-C16890-100mgSize: 100 mgDry Ice: YesHazardous: No
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CAT#:1568-C16890-100mgSize:100 mg
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CAS Number
330808-88-3
Synonyms
BAY38-9456
Target
PDE
Applications
Metabolism
Smiles
CCCC1=NC (=C2N1N=C (NC2=O) C3=C (C=CC (=C3) S (=O) (=O) N4CCN (CC4) CC) OCC) C.O.O.O.Cl
Molecular Formula
C23H32N6O4S.HCl.3H2O
Additionnal Information
Vardenafil HCl Trihydrate (BAY38-9456) is a new type PDE inhibitor with IC50 of 0.7 and 180 nM for PDE5 and PDE1, respectively.
Storage Conditions
2 years -80 in solvent

Chemical Information

Vardenafil Hydrochloride Trihydrate

Vardenafil Hydrochloride Trihydrate is the hydrochloride salt form of vardenafil, a benzenesulfonamide derivative and phosphodiesterase type 5 (PDE5) inhibitor with vasodilatory activity. Vardenafil selectively inhibits PDE5, thus inhibiting the degradation of cyclic guanosine monophosphate (cGMP) found in the smooth muscle of the corpus cavernosa and corpus spongiosum of the penis. The inhibition of cGMP degradation results in prolonged muscle relaxation, vasodilation, and blood engorgement of the corpus cavernosa, thereby prolonging penile erection.

CAS Number330808-88-3
PubChem CID135413545
IUPAC Name2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;trihydrate;hydrochloride
Molecular FormulaC23H39ClN6O7S
Molecular Weight579.1
Topological Polar Surface Area121
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity854
SMILES
CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C.O.O.O.Cl
InChI
InChI=1S/C23H32N6O4S.ClH.3H2O/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28;;;;/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30);1H;3*1H2
InChIKey
FBCDRHDULQYRTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vardenafil Hydrochloride Trihydrate
CAS: 330808-88-3
CID: 135413545
Formula: C23H39ClN6O7S
MW: 579.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight579.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass578.2289465
Monoisotopic Mass578.2289465
Topological Polar Surface Area121 Ų
Heavy Atom Count38
Formal Charge0
Complexity854
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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