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Sildenafil Impurity B

CAT: 1596-AR-S10253-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S10253-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
200575-15-1
Synonyms
4- (2-Ethoxy-5- ((4-methylpiperazin-1-yl) sulfonyl) benzamido) -1-methyl-3-propyl-1Hpyrazole-5-carboxamide
Molecular Formula
C22H32N6O5S
Molecular Weight
492.60
API Name
Sildenafil

Chemical Information

4-((2-Ethoxy-5-((4-methyl-1-piperazinyl)sulfonyl)benzoyl)amino)-1-methyl-3-propyl-1H-pyrazole-5-carboxamide

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CAS Number200575-15-1
PubChem CID11016476
IUPAC Name4-[[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]-1-methyl-3-propylpyrazole-5-carboxamide
Molecular FormulaC22H32N6O5S
Molecular Weight492.6
XLogP1.3
Topological Polar Surface Area148
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity813
SMILES
CCCC1=NN(C(=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C)OCC)C(=O)N)C
InChI
InChI=1S/C22H32N6O5S/c1-5-7-17-19(20(21(23)29)27(4)25-17)24-22(30)16-14-15(8-9-18(16)33-6-2)34(31,32)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H2,23,29)(H,24,30)
InChIKey
IFFGTBBYPRZJLD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((2-Ethoxy-5-((4-methyl-1-piperazinyl)sulfonyl)benzoyl)amino)-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
CAS: 200575-15-1
CID: 11016476
Formula: C22H32N6O5S
MW: 492.6
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight492.6
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass492.21548932
Monoisotopic Mass492.21548932
Topological Polar Surface Area148 Ų
Heavy Atom Count34
Formal Charge0
Complexity813
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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