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Nitroso-prodenafil

CAT: 1596-AR-S01395-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S01395-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1266755-08-1
Synonyms
N- (2- ((5- (5- (((3R,5S) -3,5-dimethylpiperazin-1-yl) sulfonyl) -2-ethoxyphenyl) -1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl) oxy) thiazol-5-yl) -N-methylnitrous amide
Molecular Formula
C27H35N9O5S2
Molecular Weight
629.77
API Name
Sildenafil

Chemical Information

Nitrosoprodenafil
CAS Number1266755-08-1
PubChem CID73425531
IUPAC NameN-[2-[5-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-yl]oxy-1,3-thiazol-5-yl]-N-methylnitrous amide
Molecular FormulaC27H35N9O5S2
Molecular Weight629.8
XLogP3.9
Topological Polar Surface Area194
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count14
Rotatable Bond Count10
Heavy Atom Count43
Formal Charge0
Complexity1030
SMILES
CCCC1=NN(C2=C1N=C(N=C2OC3=NC=C(S3)N(C)N=O)C4=C(C=CC(=C4)S(=O)(=O)N5C[C@H](N[C@H](C5)C)C)OCC)C
InChI
InChI=1S/C27H35N9O5S2/c1-7-9-20-23-24(35(6)32-20)26(41-27-28-13-22(42-27)34(5)33-37)31-25(30-23)19-12-18(10-11-21(19)40-8-2)43(38,39)36-14-16(3)29-17(4)15-36/h10-13,16-17,29H,7-9,14-15H2,1-6H3/t16-,17+
InChIKey
DTAKXJYYAUWRND-CALCHBBNSA-N
Chemical Structure
2D Structure
2D structure of Nitrosoprodenafil
CAS: 1266755-08-1
CID: 73425531
Formula: C27H35N9O5S2
MW: 629.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight629.8
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count14
Rotatable Bond Count10
Exact Mass629.22025760
Monoisotopic Mass629.22025760
Topological Polar Surface Area194 Ų
Heavy Atom Count43
Formal Charge0
Complexity1030
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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