EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.
CHEBI:749175 - nolpitantium
| Formula | C37H45Cl2N2O2 |
| Net Charge | +1 |
| Average Mass | 620.685 |
| Monoisotopic Mass | 619.28526 |
| SMILES | CC(C)Oc1cccc(CC(=O)N2CCC[C@](CC[N+]34CCC(c5ccccc5)(CC3)CC4)(c3ccc(Cl)c(Cl)c3)C2)c1 |
| InChI | InChI=1S/C37H45Cl2N2O2/c1-28(2)43-32-11-6-8-29(24-32)25-35(42)40-19-7-14-37(27-40,31-12-13-33(38)34(39)26-31)18-23-41-20-15-36(16-21-41,17-22-41)30-9-4-3-5-10-30/h3-6,8-13,24,26,28H,7,14-23,25,27H2,1-2H3/q+1/t36?,37-,41?/m1/s1 |
| InChIKey | RPDFDSQFBCJTDY-GAQXSTBRSA-N |
| Roles Classification |
|---|
| Application: | anti-inflammatory agent Any compound that has anti-inflammatory effects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| nolpitantium (CHEBI:749175) has role anti-inflammatory agent (CHEBI:67079) |
| nolpitantium (CHEBI:749175) is a piperidines (CHEBI:26151) |
| Synonyms | Source |
|---|---|
| Nolpitantium | ChEMBL |
| Nolpitantium cation | ChEMBL |
| Nolpitantium ion | ChEMBL |
| Sr-140333 | ChEMBL |