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CHEBI:92897 - Ro 25-6981
| Formula | C22H29NO2 |
| Net Charge | 0 |
| Average Mass | 339.479 |
| Monoisotopic Mass | 339.21983 |
| SMILES | C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 |
| InChI | InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/t17-,22+/m0/s1 |
| InChIKey | WVZSEUPGUDIELE-HTAPYJJXSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | NMDA receptor antagonist Any substance that inhibits the action of N-methyl-D-aspartate (NMDA) receptors. They tend to induce a state known as dissociative anesthesia, marked by catalepsy, amnesia, and analgesia, while side effects can include hallucinations, nightmares, and confusion. Due to their psychotomimetic effects, many NMDA receptor antagonists are used as recreational drugs. |
| Applications: | neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. anticonvulsant A drug used to prevent seizures or reduce their severity. antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ro 25-6981 (CHEBI:92897) has role anticonvulsant (CHEBI:35623) |
| Ro 25-6981 (CHEBI:92897) has role antidepressant (CHEBI:35469) |
| Ro 25-6981 (CHEBI:92897) has role neuroprotective agent (CHEBI:63726) |
| Ro 25-6981 (CHEBI:92897) has role NMDA receptor antagonist (CHEBI:60643) |
| Ro 25-6981 (CHEBI:92897) is a benzenes (CHEBI:22712) |
| Ro 25-6981 (CHEBI:92897) is a phenols (CHEBI:33853) |
| Ro 25-6981 (CHEBI:92897) is a piperidines (CHEBI:26151) |
| Ro 25-6981 (CHEBI:92897) is a secondary alcohol (CHEBI:35681) |
| Ro 25-6981 (CHEBI:92897) is a tertiary amino compound (CHEBI:50996) |
| Ro 25-6981 (CHEBI:92897) is conjugate base of Ro 25-6981(1+) (CHEBI:183314) |
| Incoming Relation(s) |
| Ro 25-6981(1+) (CHEBI:183314) is conjugate acid of Ro 25-6981 (CHEBI:92897) |
| IUPAC Name |
|---|
| 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol |
| Synonyms | Source |
|---|---|
| 4-[(1R,2S)-1-hydroxy-2-methyl-3-[4-(phenylmethyl)-1-piperidinyl]propyl]phenol | ChEBI |
| Ro-25-6981 | ChEBI |
| Ro25-6981 | ChEBI |
| Ro 25-6981 free base | ChEBI |
| (αR,βS)-α-(4-Hydroxyphenyl)-β-methyl-4-(phenylmethyl)-1-piperidinepropanol | ChEBI |
| Citations |
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