Aceburic acid

Synonyms: Aceburic acid, "4-(acetyloxy)butanoic acid", "4-acetoxy-n-butyric acid", "Butanoic acid, 4-(acetyloxy)-", "4-acetyloxybutanoic acid", "AC1L42ED", "4-Hydroxybutyric acid acetate"

Source: Aceburic acid is the acetyl ester of gamma-hydroxybutyrate (GHB), and likely has analgesic effects as a prodrug.

Identifiers:

IUPAC Name: 4-acetyloxybutanoic acid
CAS Number: 26976-72-7
PubChem ID: 176865
InChiKey: GOVNVPJYMDJYSR-UHFFFAOYSA-N
Canonical SMILES: CC(=O)OCCCC(=O)O

Structural Properties:

Molecular Formula: C₆H₁₀O₄
Molecular Weight: 146,140

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 4
Number of atoms different from hydrogen: 10

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Evidence Supporting This Chemical as an Emerging Contaminant

Syakti, A. D., Ahmed, M. M., Hidayati, N. V., Hilmi, E., Sulystyo, I., Piram, A., & Doumenq, P. (2013). Screening of emerging pollutants in the mangrove of Segara Anakan Nature Reserve, Indonesia. IERI Procedia, 5, 216-222.

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2D-structure

3D-structure