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Thioaildenafil

CAT: 0926-FT28220-01Size: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0926-FT28220-01Size:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
856190-47-1
Synonyms
(3R,5S) -rel-1-[[3- (4,7-dihydro-1-methyl-3-propyl-7-thioxo-1H-pyrazolo[4,3-d]pyrimidin-5-yl) -4-ethoxyphenyl]sulfonyl]-3,5-dimethyl-pi perazine; Sulfoaildenafil
MDL Number
MFCD22690881
Smiles
CCCC1=NN (C2=C1NC (=NC2=S) C3=C (C=CC (=C3) S (=O) (=O) N4C[C@H] (N[C@H] (C4) C) C) OCC) C
Molecular Formula
C23H32N6O3S2
Molecular Weight
504.67 g/mol
Controlled
No

Chemical Information

Thioaildenafil

structure in first source

CAS Number856190-47-1
PubChem CID56841591
IUPAC Name5-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,5-d]pyrimidine-7-thione
Molecular FormulaC23H32N6O3S2
Molecular Weight504.7
XLogP2.5
Topological Polar Surface Area141
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity868
SMILES
CCCC1=NN(C2=C1NC(=NC2=S)C3=C(C=CC(=C3)S(=O)(=O)N4C[C@H](N[C@H](C4)C)C)OCC)C
InChI
InChI=1S/C23H32N6O3S2/c1-6-8-18-20-21(28(5)27-18)23(33)26-22(25-20)17-11-16(9-10-19(17)32-7-2)34(30,31)29-12-14(3)24-15(4)13-29/h9-11,14-15,24H,6-8,12-13H2,1-5H3,(H,25,26,33)/t14-,15+
InChIKey
SCLUKEPFXXPARW-GASCZTMLSA-N
Chemical Structure
2D Structure
2D structure of Thioaildenafil
CAS: 856190-47-1
CID: 56841591
Formula: C23H32N6O3S2
MW: 504.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.7
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass504.19773125
Monoisotopic Mass504.19773125
Topological Polar Surface Area141 Ų
Heavy Atom Count34
Formal Charge0
Complexity868
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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