Sildenafil citrate

Basic Info

FADB-China IDC0569
Substance NamePDE-5 inhibitors drugs
Substance Chinese NamePDE-5抑制剂药物
Molecular NameSildenafil citrate
Molecular Chinese Name枸橼酸西地那非
2D StructureNo image
CAS Number171599-83-0
PubChem CID135413523
FormulaC28H38N6O11S
IUPAC Name5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one;2-hydroxypropane-1,2,3-tricarboxylic acid
InChI KeyDEIYFTQMQPDXOT-UHFFFAOYSA-N
InChIInChI=1S/C22H30N6O4S.C6H8O7/c1-5-7-17-19-20(27(4)25-17)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;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
Canonical SMILES

CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

CFM-ID 3.0URL Link
Related linksProcessing
Addition PurposesEnhance health care function
Molecular Synonyms
        
            Sildenafil citrate
        
            171599-83-0
        
            Revatio
        
            VIAGRA
        
            Caverta
        
            Sildenafilcitrate
        
            Sildenafil citrate [USAN]
        
            UNII-BW9B0ZE037
        
            Sildenafil citrate salt
        
            Sildenafil (citrate)
Data UploaderShuyu Ouyang
Update DateJul 25, 2019 20:46

Properties

Property NameProperty Value
Molecular Weight666.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Complexity1070
Monoisotopic Mass666.23192724
Exact Mass666.23192724
Formal Charge0
Heavy Atom Count46
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count2

Related Foods

FADB-China ID F0142
Food Image No Pictures
Food Name Plant food supplements
Food Chinese Name 植物食品补充剂
Food Type Processed food
References Adulteration of Dietary Supplements by the Illegal Addition of Synthetic Drugs: A Review

References

TitleDOI/PubMed/ISSN
[Qualitative analysis of illegally adulterated sildenafil and related compounds in dietary supplements by ultra-high performance liquid chromatography-quadrupole-time-of-flight mass spectrometry]. 30378360
Isolation and identification of a novel sildenafil analogue adulterant in herbal products. 28008796
Application of a high resolution benchtop quadrupole-Orbitrap mass spectrometry for the rapid screening, confirmation and quantification of illegal adulterated phosphodiesterase-5 inhibitors in herbal medicines and dietary supplements. 24377735
Adulteration of Dietary Supplements by the Illegal Addition of Synthetic Drugs: A Review