EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:77839 - (1S,2R)-nortilidine
| Formula | C16H21NO2 |
| Net Charge | 0 |
| Average Mass | 259.349 |
| Monoisotopic Mass | 259.15723 |
| SMILES | CCOC(=O)[C@]1(c2ccccc2)CCC=C[C@H]1NC |
| InChI | InChI=1S/C16H21NO2/c1-3-19-15(18)16(13-9-5-4-6-10-13)12-8-7-11-14(16)17-2/h4-7,9-11,14,17H,3,8,12H2,1-2H3/t14-,16+/m1/s1 |
| InChIKey | PDJZPNKVLDWEKI-ZBFHGGJFSA-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. |
| Application: | opioid analgesic A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (1S,2R)-nortilidine (CHEBI:77839) has role drug metabolite (CHEBI:49103) |
| (1S,2R)-nortilidine (CHEBI:77839) has role opioid analgesic (CHEBI:35482) |
| (1S,2R)-nortilidine (CHEBI:77839) is a ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate (CHEBI:77835) |
| (1S,2R)-nortilidine (CHEBI:77839) is enantiomer of (1R,2S)-nortilidine (CHEBI:77841) |
| Incoming Relation(s) |
| rac-nortilidine (CHEBI:77829) has part (1S,2R)-nortilidine (CHEBI:77839) |
| (1R,2S)-nortilidine (CHEBI:77841) is enantiomer of (1S,2R)-nortilidine (CHEBI:77839) |
| IUPAC Name |
|---|
| ethyl (1S,2R)-2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate |
| Synonyms | Source |
|---|---|
| (1S,2R)-(+)-nortilidine | ChEBI |
| (+)-nortilidine | ChemIDplus |
| ethyl trans-(+)-2-(methylamino)-1-phenyl-3-cyclohexene-1-carboxylate | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8864203 | Reaxys |
| CAS:37815-44-4 | ChemIDplus |