Butomidate

Butomidate

Identifiers
IUPAC name butyl 3-[1-phenylethyl]imidazole-4-carboxylate
CAS Number	112367-53-0
ChemSpider	129922918
Chemical and physical data
Formula	C16H20N2O2
Molar mass	272.348 g·mol−1
3D model (JSmol)	Interactive image
SMILES O=C(C1=CN=CN1C(C2=CC=CC=C2)C)OCCCC
InChI InChI=1S/C16H20N2O2/c1-3-4-10-20-16(19)15-11-17-12-18(15)13(2)14-8-6-5-7-9-14/h5-9,11-13H,3-4,10H2,1-2H3 Key:KZKZZYNLTMCQOW-UHFFFAOYSA-N

Butomidate is an anesthetic drug related to etomidate, which has been sold as a designer drug as an active ingredient in e-cigarette liquids marketed under names such as space oil or kpods. It has an n-butyl ester group in place of the ethyl ester of etomidate. ^{[1] [2] [3] [4]}

References

1. Fan Y, Chen X, Wu H, Ke X, Chen H, Xu Y, et al. (November 2025). "Leveraging mass spectrometry fragmentation patterns for accelerated screening and structural elucidation of new etomidate analogues in suspect samples". Journal of Pharmaceutical and Biomedical Analysis. 265 117023. doi:10.1016/j.jpba.2025.117023. PMID   40532400.
2. Zhang X, Li Y, Liu J, Pan Z, Chen Y, Wang M, et al. (July 2025). "Identification of two novel imidazole-derived GABA agonists butomidate and tf-etomidate in e-cigarette liquids". Forensic Toxicology. doi:10.1007/s11419-025-00732-5. PMID   40643820.
3. Bai S, Qian Z, Chen Y, Liu S, Wang F, Liu F (September 2025). "Traceability of etomidate and its analogs in biological samples using "specific" metabolites". Analytical Methods. 17 (36): 7207–7216. doi:10.1039/D5AY00773A. PMID   40879556.
4. "Substance details: Butomidate". UNODC. 2025.