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Norneo Sildenafil

CAT: 0572-TRC-N824300-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N824300-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
371959-09-0
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)S(=O)(=O)N4CCCCC4
Molecular Formula
C22 H29 N5 O4 S
Molecular Weight
459.56
InChI
InChI=1S/C22H29N5O4S/c1-4-9-17-19-20(26(3)25-17)22(28)24-21(23-19)16-14-15(10-11-18(16)31-5-2)32(29,30)27-12-7-6-8-13-27/h10-11,14H,4-9,12-13H2,1-3H3,(H,23,24,28)
Additionnal Information
IUPAC name: 5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Norneosildenafil
CAS Number371959-09-0
PubChem CID135417000
IUPAC Name5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
Molecular FormulaC22H29N5O4S
Molecular Weight459.6
XLogP2.5
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity808
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)OCC)C
InChI
InChI=1S/C22H29N5O4S/c1-4-9-17-19-20(26(3)25-17)22(28)24-21(23-19)16-14-15(10-11-18(16)31-5-2)32(29,30)27-12-7-6-8-13-27/h10-11,14H,4-9,12-13H2,1-3H3,(H,23,24,28)
InChIKey
LOJSLWNUHMOFAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Norneosildenafil
CAS: 371959-09-0
CID: 135417000
Formula: C22H29N5O4S
MW: 459.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.6
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass459.19402560
Monoisotopic Mass459.19402560
Topological Polar Surface Area114 Ų
Heavy Atom Count32
Formal Charge0
Complexity808
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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