Propyphenazone

Synonyms: Propyphenazone, "isopropylantipyrine", "Isopropylphenazone", "4-Isopropylantipyrine", "Isopropyrine", "Isopropylantipyrin", "Isopropylantipyrinum", "Larodon", "Propifenazona", "Propyphenazonum", "Isopropchin", "1-Phenyl-2,3-dimethyl-4-isopropyl-3-pyrazolin-5-one", "1-Phenyl-2,3-dimethyl-4-isopropylpyrazol-5-one", "Propyphenazon", "Cibalgina", "Causyth", "Budirol", "4-Isopropylphenazone"

Source: Propyphenazone is a mild analgesic pharmaceutical.

Identifiers:

IUPAC Name: 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one
CAS Number: 479-92-5;
PubChem ID: 3778
InChiKey: PXWLVJLKJGVOKE-UHFFFAOYSA-N
Canonical SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C

Structural Properties:

Molecular Formula: C₁₄H₁₈N₂O
Molecular Weight: 230,310

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 17

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Evidence Supporting This Chemical as an Emerging Contaminant

Banjac, Z., Ginebreda, A., Kuzmanovic, M., Marc?, R., Nadal, M., Riera, J. M., & Barcel?, D. (2015). Emission factor estimation of ca. 160 emerging organic microcontaminants by inverse modeling in a Mediterranean river basin (Llobregat, NE Spain). Science of the Total Environment, 520, 241-252.

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