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CHEBI:234367 - isotodesnitazene
| Formula | C23H31N3O |
| Net Charge | 0 |
| Average Mass | 365.521 |
| Monoisotopic Mass | 365.24671 |
| SMILES | CCN(CC)CCn1c(Cc2ccc(OC(C)C)cc2)nc2ccccc21 |
| InChI | InChI=1S/C23H31N3O/c1-5-25(6-2)15-16-26-22-10-8-7-9-21(22)24-23(26)17-19-11-13-20(14-12-19)27-18(3)4/h7-14,18H,5-6,15-17H2,1-4H3 |
| InChIKey | MXCQZQAWFBUAJT-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | opioid analgesic A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood. mu-opioid receptor agonist A compound that exhibits agonist activity at the μ-opioid receptor. |
| Applications: | opioid analgesic A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood. mu-opioid receptor agonist A compound that exhibits agonist activity at the μ-opioid receptor. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| isotodesnitazene (CHEBI:234367) has role opioid analgesic (CHEBI:35482) |
| isotodesnitazene (CHEBI:234367) has role μ-opioid receptor agonist (CHEBI:55322) |
| isotodesnitazene (CHEBI:234367) is a aromatic ether (CHEBI:35618) |
| isotodesnitazene (CHEBI:234367) is a benzimidazoles (CHEBI:22715) |
| isotodesnitazene (CHEBI:234367) is a tertiary amino compound (CHEBI:50996) |
| IUPAC Name |
|---|
| N,N-diethyl-2-{2-[4-(propan-2-yloxy)benzyl]-1H-benzimidazol-1-yl}ethanamine |
| Synonym | Source |
|---|---|
| N,N-diethyl-2-[2-({4-[(propan-2-yl)oxy]phenyl}methyl)-1H-benzimidazol-1-yl]ethan-1-amine | IUPAC |
| Registry Numbers | Sources |
|---|---|
| CAS:2732926-27-9 | PubChem Compound |
| Citations |
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