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Hydroxythio Vardenafil

CAT: 1596-AR-V01180-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-V01180-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
912576-30-8
Synonyms
2- (2-ethoxy-5- ((4- (2-hydroxyethyl) piperazin-1-yl) sulfonyl) phenyl) -5-methyl-7-propylimidazo[5,1-f][1,2,4]triazine-4 (1H) -thione; 2-[2-Ethoxy-5-[[4- (2-hydroxyethyl) -1-piperazinyl]sulfonyl]phenyl]-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazine-4 (1H) -thione; 4-[[3- (1,4-Dihydro-5-methyl-7-propyl-4-thioxoimidazo[5,1-f][1,2,4]triazin-2-yl) -4-ethoxyphenyl]sulfonyl]-1-piperazineethanol
Molecular Formula
C23H32N6O4S2
Molecular Weight
520.67
API Name
Vardenafil

Chemical Information

Hydroxythiovardenafil
CAS Number912576-30-8
PubChem CID109374010
IUPAC Name2-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazine-4-thione
Molecular FormulaC23H32N6O4S2
Molecular Weight520.7
XLogP2
Topological Polar Surface Area153
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity874
SMILES
CCCC1=NC(=C2N1NC(=NC2=S)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCO)OCC)C
InChI
InChI=1S/C23H32N6O4S2/c1-4-6-20-24-16(3)21-23(34)25-22(26-29(20)21)18-15-17(7-8-19(18)33-5-2)35(31,32)28-11-9-27(10-12-28)13-14-30/h7-8,15,30H,4-6,9-14H2,1-3H3,(H,25,26,34)
InChIKey
GXMTWHWNRQQKJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxythiovardenafil
CAS: 912576-30-8
CID: 109374010
Formula: C23H32N6O4S2
MW: 520.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.7
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass520.19264587
Monoisotopic Mass520.19264587
Topological Polar Surface Area153 Ų
Heavy Atom Count35
Formal Charge0
Complexity874
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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