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Iso Sildenafil-d3

CAT: 0572-TRC-I900802-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I900802-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1794829-17-6
Synonyms
5-[2-Ethoxy-5-[(4-(methyl-d3)-1-piperazinyl)sulfonyl]phenyl]-2,6-dihydro-2-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one; 1-[[3-(4,7-Dihydro-2-methyl-7-oxo-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl]-4-(methyl-d3)piperazine;
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])N1CCN(CC1)S(=O)(=O)c2ccc(OCC)c(c2)C3=NC(=O)c4nn(C)c(CCC)c4N3
Molecular Formula
C22H27D3N6O4S
Molecular Weight
477.59
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Iso Sildenafil-d3
CAS Number1794829-17-6
PubChem CID136242409
IUPAC Name5-[2-ethoxy-5-[4-(trideuteriomethyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Molecular FormulaC22H30N6O4S
Molecular Weight477.6
XLogP1.5
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity838
SMILES
[2H]C([2H])([2H])N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC)C3=NC4=C(N(N=C4C(=O)N3)C)CCC
InChI
InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(25-27(17)4)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)/i3D3
InChIKey
AEHJOHLAUWUPQW-HPRDVNIFSA-N
Chemical Structure
2D Structure
2D structure of Iso Sildenafil-d3
CAS: 1794829-17-6
CID: 136242409
Formula: C22H30N6O4S
MW: 477.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.6
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass477.22375487
Monoisotopic Mass477.22375487
Topological Polar Surface Area118 Ų
Heavy Atom Count33
Formal Charge0
Complexity838
Isotope Atom Count3
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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