Atorvastatin

Synonyms: Cardyl, "Tozalip", "Xavator", "Sotis", "Lipitor", "Torvast", "Lipitor (TN)", "(3R,5R)-7-(2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acid", "(R-(R*,R*))-2-(4-Fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrole-1-heptanoic acid"

Source: Atorvastatin is a cholesterol?lowering drug and also an antioxidant.

Identifiers:

IUPAC Name: (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
CAS Number: 134523-00-5
PubChem ID: 60823
InChiKey: XUKUURHRXDUEBC-KAYWLYCHSA-N
Canonical SMILES: CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Structural Properties:

Molecular Formula: C₃₃H₃₅FN₂O₅
Molecular Weight: 558,600

Pharmacophore Features:

Number of bond donors: 4
Number of bond acceptors: 6
Number of atoms different from hydrogen: 41

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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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