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]

CAS Number

112367-53-0

ChemSpider

129922918

FormulaC₁₆H₂₀N₂O₂

Molar mass272.348 g·mol⁻¹

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Butomidate

References

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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