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2785346-75-8

2785346-75-8 Structure

2785346-75-8 Structure
IdentificationBack Directory
[Name]

1H-Benzimidazole, 2-[(4-ethoxyphenyl)methyl]-5-nitro-1-[2-(1-pyrrolidinyl)ethyl]-
[CAS]

2785346-75-8
[Synonyms]

1H-Benzimidazole, 2-[(4-ethoxyphenyl)methyl]-5-nitro-1-[2-(1-pyrrolidinyl)ethyl]-
[EINECS(EC#)]

606-227-7
[Molecular Formula]

C22H26N4O3
[MOL File]

2785346-75-8.mol
[Molecular Weight]

394.47
Chemical PropertiesBack Directory
[Boiling point ]

608.6±50.0 °C(Predicted)
[density ]

1.27±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

Acetonitrile: 10 mg/ml DMF: 30 mg/ml DMSO: 1 mg/ml Ethanol: 5 mg/ml Methanol: 10 mg/ml
[form ]

A crystalline solid
[pka]

9.90±0.20(Predicted)
[λmax]

242 nm
[InChI]

InChI=1S/C22H26N4O3/c1-2-29-19-8-5-17(6-9-19)15-22-23-20-16-18(26(27)28)7-10-21(20)25(22)14-13-24-11-3-4-12-24/h5-10,16H,2-4,11-15H2,1H3
[InChIKey]

LQZWZCJCEPUKCJ-UHFFFAOYSA-N
[SMILES]

C1(CC2=CC=C(OCC)C=C2)N(CCN2CCCC2)C2=CC=C([N+]([O-])=O)C=C2N=1
Hazard InformationBack Directory
[Description]

N-Pyrrolidino etonitazene is an analytical reference standard categorized as an opioid. N-Pyrrolidino etonitazene is regulated as a Schedule I compound in the United States. This product is intended for research and forensic applications.
[General Description]

Etonitazepyne (IUPAC name: 2-[(4-ethoxyphenyl)methyl]-5-nitro-1-(2-pyrrolidin-1-ylethyl)-1H-benzoimidazole, also known as N-pyrrolidino etonitazene) is a benzimidazole-derived synthetic opioid with a chemical structure and pharmacological similarities to Schedule I drugs (under the 1961 United Nations Conventions) such as etonitazene. Etonitazepyne appears to be an analog of benzylbenzimidazole derivatives with analgesic properties that were initially synthesized in the late 1950s, although it was not described in that series.
[Side effects]

The reported effects after etonitazepyne use include euphoria, drowsiness, itchiness, nausea and/or vomiting, sweating and difficulty in breathing.
[References]

Vandeputte, M.M., Krotulski, A.J., Walther, D., et al. Pharmacological evaluation and forensic case series of N?pyrrolidino etonitazene (etonitazepyne), a newly emerging 2?benzylbenzimidazole ‘nitazene’ synthetic opioid. Arch. Toxicol. 96, 1845-1863 (2022).f
DOI:10.1007/s00204-022-03276-4
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