Mevastatin

Synonyms: Mevastatin, "compactin", "ML-236B", "Mevastatinum", "Mevastatine", "Mevastatina", "[(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate", "Mevastatin (Compactin)", "ML236B"

Source: Mevastatin or compactin is a cholesterol-lowering agent.

Identifiers:

IUPAC Name: [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate
CAS Number: 73573-88-3
PubChem ID: 64715
InChiKey: AJLFOPYRIVGYMJ-INTXDZFKSA-N
Canonical SMILES: CCC(C)C(=O)OC1CCC=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O

Structural Properties:

Molecular Formula: C₂₃H₃₄O₅
Molecular Weight: 390,500

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 5
Number of atoms different from hydrogen: 28

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3D structure (.sdf)
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Evidence Supporting This Chemical as an Emerging Contaminant

Terzi?, S., Senta, I., Ahel, M., Gros, M., Petrovi?, M., Barcelo, D., ... & Jovan?i?, P. (2008). Occurrence and fate of emerging wastewater contaminants in Western Balkan Region. Science of the total environment, 399(1-3), 66-77.

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