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Vardenafil Oxopiperazine (Impurity)

CAT: 0572-TRC-V098030-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-V098030-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
448184-58-5
Synonyms
2-[2-Ethoxy-5-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]-5-methyl-7-propyl-imidazo[5,1-f][1,2,4]triazin-4(1H)-one; 4-[[3-(1,4-Dihydro-5-methyl-4-oxo-7-propylimidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxyphenyl]sulfonyl]-piperazinone; Vardenafil oxopiperazine (impurity)
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CCCc1nc(C)c2C(=O)N=C(Nn12)c3cc(ccc3OCC)S(=O)(=O)N4CCNC(=O)C4
Molecular Formula
C21 H26 N6 O5 S
Molecular Weight
474.53
InChI
InChI=1S/C21H26N6O5S/c1-4-6-17-23-13(3)19-21(29)24-20(25-27(17)19)15-11-14(7-8-16(15)32-5-2)33(30,31)26-10-9-22-18(28)12-26/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,22,28)(H,24,25,29)
Additionnal Information
IUPAC name: 2-[2-ethoxy-5-(3-oxopiperazin-1-yl)sulfonyl-phenyl]-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-4-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Vardenafil oxopiperazine
CAS Number448184-58-5
PubChem CID135565824
IUPAC Name2-[2-ethoxy-5-(3-oxopiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
Molecular FormulaC21H26N6O5S
Molecular Weight474.5
XLogP1.4
Topological Polar Surface Area143
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity890
SMILES
CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCNC(=O)C4)OCC)C
InChI
InChI=1S/C21H26N6O5S/c1-4-6-17-23-13(3)19-21(29)24-20(25-27(17)19)15-11-14(7-8-16(15)32-5-2)33(30,31)26-10-9-22-18(28)12-26/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,22,28)(H,24,25,29)
InChIKey
YADSUUGYWVEDTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vardenafil oxopiperazine
CAS: 448184-58-5
CID: 135565824
Formula: C21H26N6O5S
MW: 474.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.5
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass474.16853912
Monoisotopic Mass474.16853912
Topological Polar Surface Area143 Ų
Heavy Atom Count33
Formal Charge0
Complexity890
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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