Aprobarbital

Synonyms: Allypropymal, "Aprobarbitone", "Allylpropymal", "Alurate", "Allonal", "Aprobarbita", "Allional", "Aprozal", "Numal", "Allylisopropylmalonylurea", "Alurate elixir verdum", "Isopropylallylbarbituric acid", "Allylisopropylbarbituric acid", "Allypropymalum", "Isonal (swedish)", "5-Isopropyl-5-allylbarbituric acid", "5-Allyl-5-isopropylbarbituric acid", "5-Allyl-5-isopropylbarbiturate"

Source: Aprobarbital has sedative, hypnotic and anticonvulsant properties, and was used primarily for the treatment of insomnia.

Identifiers:

IUPAC Name: 5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CAS Number: 77-02-1
PubChem ID: 6464
InChiKey: UORJNBVJVRLXMQ-UHFFFAOYSA-N
Canonical SMILES: CC(C)C1(C(=O)NC(=O)NC1=O)CC=C

Structural Properties:

Molecular Formula: C₁₀H₁₄N₂O₃
Molecular Weight: 210,230

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 3
Number of atoms different from hydrogen: 15

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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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