Hexobarbital

Synonyms: Hexobarbital, "Hexobarbitone", "Methylhexabital", "Methexenyl", "Evipan", "Evipal", "Barbidorm", "Sombucaps", "Enhexymal", "Sombulex", "Noctivane", "Somnalert", "Cyclopan", "Citopan", "Methylhexabarbital", "Narcosan", "Hexabarbital", "Cyclonal", "Dorico", "Citodon", "Hexanastab oral", "Hexenal (barbiturate)", "Hexobarbitonum", "Hexobarbitalum", "Esobarbitale", "Enhexymalum", "5-(1-cyclohexen-1-yl)-1,5-dimethylbarbituric acid", "Sodium hexobarbital"

Source: Hexobarbital is a barbiturate derivative that has sedative and hypnotic effects.

Identifiers:

IUPAC Name: 5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione
CAS Number: 56-29-1
PubChem ID: 3608
InChiKey: UYXAWHWODHRRMR-UHFFFAOYSA-N
Canonical SMILES: CC1(C(=O)NC(=O)N(C1=O)C)C2=CCCCC2

Structural Properties:

Molecular Formula: C₁₂H₁₆N₂O₃
Molecular Weight: 236,270

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 17

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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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