Basic information
- CAS
2053-25-0- Standard SMILES
CCOc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3n2CC[NH+](CC)CC)cc1.[Cl-]- InChIKey
JTBRYBUIGVMMQL-UHFFFAOYSA-N- Molecular formula
- C22H29ClN4O3
- Average molar mass
- 432.9 g/mol
- Monoisotopic mass
- 432.1928185
Names & identifiers
- Preferred name
- Etonitazene hydrochloride
- IUPAC
- 2-[2-[(4-ethoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]ethyl-diethylazanium chloride
Names & synonyms
Etonitazene hydrochloride2053-25-0C 20684LD057W8P8BDTXSID501745231-(2-Diethylaminoethyl)-2-(p-ethoxybenzyl)-5-nitrobenzimidazole hydrochlorideBenzimidazole, 1-(2-diethylaminoethyl)-2-(p-ethoxybenzyl)-5-nitro-, hydrochlorideETONITAZENE HYDROCHLORIDE [MI]C-20684BENZIMIDAZOLE, 1-(2-(DIETHYLAMINO)ETHYL)-2-(P-ETHOXYBENZYL)-5-NITRO-, HYDROCHLORIDE1H-BENZIMIDAZOLE-1-ETHANAMINE, 2-((4-ETHOXYPHENYL)METHYL)-N,N-DIETHYL-5-NITRO-, MONOHYDROCHLORIDE2-((4-ETHOXYPHENYL)METHYL)-N,N-DIETHYL-5-NITRO-1H-BENZIMIDAZOLE-1-ETHANAMINE HYDROCHLORIDE
Show more names
RefChem:596845DTXCID7097014UNII-LD057W8P8BEtonitazene HCl2-{2-[(4-Ethoxyphenyl)methyl]-5-nitro-1H-1,3-benzimidazol-1-yl}-N,N-diethylethan-1-aminium chloride
Database identifiers
- CAS
2053-25-0- PubChem CID
- 16334
- DTXSID
DTXSID50174523- EC Number
- 102-162-9
Properties
Computed structural properties
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 503
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P271, P301+P316, P304+P340, P319, P321, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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