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Vardenafil HCl Trihydrate

CAT: 0421-27776-2Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0421-27776-2Size:10 mg
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Background
Vardenafil is frequently used in the treatment erectile dysfunction, and is the active ingredient in Levitra. It has been reported to significantly enhance the SNP-induced, ACh-induced and transmural electrical stimulation-induced relaxation of human trabecular smooth muscle. Vardenafil has been revealed to increase the amount of cGMP in human corpus cavernosum.
Description
Vardenafil is a potent and selective inhibitor of phosphodiesterase type5 (PDE5) with the IC50 value of 0.7 nM in enzymatic assay in vitro.
CAS Number
224785-90-4
Format
Nearly colourless solid
Solubility
Soluble in ethanol or 0.1M HCl. Only slightly soluble in water.
Molecular Formula
C23H32N6O4S • HCl • 3 >H2O
Shipping Conditions
Room Temperature (continental US) or Gel Packs
Storage Conditions
Store at or below –20°C. Solid form is stable at least 12 months from date of receipt, when stored as directed. Do not store aqueous solutions for more than one day.
Calculated Molecular Weight
579.1 Da

Chemical Information

Vardenafil

Vardenafil is the sulfonamide resulting from formal condensation of the sulfo group of 4-ethoxy-3-(5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one-2-yl)benzenesulfonic acid and the secondary amino group of 4-ethylpiperazine. It has a role as a vasodilator agent and an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor. It is a N-alkylpiperazine, an imidazotriazine and a N-sulfonylpiperazine.

CAS Number224785-90-4
PubChem CID135400189
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
Molecular FormulaC23H32N6O4S
Molecular Weight488.6
XLogP2.5
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity854
SMILES
CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C
InChI
InChI=1S/C23H32N6O4S/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)
InChIKey
SECKRCOLJRRGGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vardenafil
CAS: 224785-90-4
CID: 135400189
Formula: C23H32N6O4S
MW: 488.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.6
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass488.22057470
Monoisotopic Mass488.22057470
Topological Polar Surface Area118 Ų
Heavy Atom Count34
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 Count1
Compound Is CanonicalizedYes

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MBS3603609-01Vardenafil hydrochloride Trihydrate
C16890-100mgVardenafil HCl Trihydrate
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