Secbutonitazene

Secbutonitazene
Identifiers
	IUPAC name 2-{[4-(but-2-yl)oxyphenyl]methyl}-5-nitro-1-(2-pyrrolidin-1-ylethyl)benzimidazole;
PubChem CID	168322285;
Chemical and physical data
Formula	C24H32N4O3
Molar mass	424.545 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CCC(C)OC1=CC=C(C=C1)CC2=NC3=C(N2CCN(CC)CC)C=CC(=C3)[N+](=O)[O-];
	InChI InChI=1S/C24H32N4O3/c1-5-18(4)31-21-11-8-19(9-12-21)16-24-25-22-17-20(28(29)30)10-13-23(22)27(24)15-14-26(6-2)7-3/h8-13,17-18H,5-7,14-16H2,1-4H3; Key:NOIMENQCHUDEKZ-UHFFFAOYSA-N;

Secbutonitazene is a benzimidazole derivative which has been sold as a designer drug. It is presumed to have opioid effects similar to related compounds, though its pharmacology has not yet been studied.^[1]

References

^ Hollerbach AL, Lin VS, Ibrahim YM, Ewing RG, Metz TO, Rodda KE (July 2024). "Elucidating the Gas-Phase Behavior of Nitazene Analog Protomers Using Structures for Lossless Ion Manipulations Ion Mobility-Orbitrap Mass Spectrometry". Journal of the American Society for Mass Spectrometry. 35 (7): 1609–1621. doi:10.1021/jasms.4c00200. PMID 38907730.

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[Hollerbach_2024-1] Hollerbach AL, Lin VS, Ibrahim YM, Ewing RG, Metz TO, Rodda KE (July 2024). "Elucidating the Gas-Phase Behavior of Nitazene Analog Protomers Using Structures for Lossless Ion Manipulations Ion Mobility-Orbitrap Mass Spectrometry". Journal of the American Society for Mass Spectrometry. 35 (7): 1609–1621. doi:10.1021/jasms.4c00200. PMID 38907730.

[1]

Identifiers

IUPAC name 2-{[4-(but-2-yl)oxyphenyl]methyl}-5-nitro-1-(2-pyrrolidin-1-ylethyl)benzimidazole
PubChem CID	168322285
Chemical and physical data
Formula	C₂₄H₃₂N₄O₃
Molar mass	424.545 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CCC(C)OC1=CC=C(C=C1)CC2=NC3=C(N2CCN(CC)CC)C=CC(=C3)[N+](=O)[O-]
InChI InChI=1S/C24H32N4O3/c1-5-18(4)31-21-11-8-19(9-12-21)16-24-25-22-17-20(28(29)30)10-13-23(22)27(24)15-14-26(6-2)7-3/h8-13,17-18H,5-7,14-16H2,1-4H3 Key:NOIMENQCHUDEKZ-UHFFFAOYSA-N

Secbutonitazene

See also

References