Xylazine

Synonyms: xylazine, "Rompun", "N-(2,6-Dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine", "Xylazin", "BAY 1470", "4H-1,3-Thiazine, 5,6-dihydro-2-(2,6-xylidino)-", "2-(2,6-Dimethylanilino)-5,6-dihydro-4H-1,3-thiazine", "EINECS 230-902-1", "5,6-Dihydro-2-(2,6-xylidino)-4H-1,3-thiazine"

Source: Xylazine is used as a veterinary anesthetic.

Identifiers:

IUPAC Name: N-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CAS Number: 7361-61-7
PubChem ID: 5707
InChiKey: BPICBUSOMSTKRF-UHFFFAOYSA-N
Canonical SMILES: CC1=C(C(=CC=C1)C)NC2=NCCCS2

Structural Properties:

Molecular Formula: C₁₂H₁₆N₂S
Molecular Weight: 220,340

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 15

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Evidence Supporting This Chemical as an Emerging Contaminant

Banjac, Z., Ginebreda, A., Kuzmanovic, M., Marc?, R., Nadal, M., Riera, J. M., & Barcel?, D. (2015). Emission factor estimation of ca. 160 emerging organic microcontaminants by inverse modeling in a Mediterranean river basin (Llobregat, NE Spain). Science of the Total Environment, 520, 241-252.

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