sildenafil

Synonyms: "sildenafil", "Revatio", "viagra", "1-((3-(4,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methylpiperazine", "BNRNXUUZRGQAQC-UHFFFAOYSA-N", "5-(2-Ethoxy-5-((4-methylpiperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one"

Source: Sildenafil is a drug used in the treatment of functional impotence.

Identifiers:

IUPAC Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CAS Number: 139755-83-2
PubChem ID: 135398744
InChiKey: BNRNXUUZRGQAQC-UHFFFAOYSA-N
Canonical SMILES: CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C

Structural Properties:

Molecular Formula: C₂₂H₃₀N₆O₄S
Molecular Weight: 474.6

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 8
Number of atoms different from hydrogen: 33

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Evidence Supporting This Chemical as an Emerging Contaminant

Riva, F., Zuccato, E., Davoli, E., Fattore, E., & Castiglioni, S. (2019). Risk assessment of a mixture of emerging contaminants in surface water in a highly urbanized area in Italy. Journal of hazardous materials, 361, 103-110.

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