Pentobarbital

Synonyms: pentobarbital, "Pentobarbitone", "Nembutal", "Mebubarbital", "Ethaminal", "Mebumal", "Pentobarbituric acid", "Neodorm", "Nebralin", "Rivadorm", "Dorsital", "Pentobarbiturate", "Pentabarbitone", "Pentabarbital", "Pentobarbitalum", "Aethaminalum", "5-Ethyl-5-(sec-pentyl)barbituric acid", "5-Ethyl-5-(1-methylbutyl)barbituric acid", "5-Ethyl-5-(1-methylbutyl)malonylurea", "5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione"

Source: Pentobarbital is a short acting hypnotic barbiturate which is often administered to lower intracranial pressure in cerebral accidents.

Identifiers:

IUPAC Name: 5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
CAS Number: 76-74-4
PubChem ID: 4737
InChiKey: WEXRUCMBJFQVBZ-UHFFFAOYSA-N
Canonical SMILES: CCCC(C)C1(C(=O)NC(=O)NC1=O)CC

Structural Properties:

Molecular Formula: C₁₁H₁₈N₂O₃
Molecular Weight: 226,270

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 3
Number of atoms different from hydrogen: 16

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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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