EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C31H32N8O4 |
| Net Charge | 0 |
| Average Mass | 580.649 |
| Monoisotopic Mass | 580.25465 |
| SMILES | [N-]=[N+]=Nc1ccccc1C[C@@]1(C(=O)N2CCCCC2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1N=[N+]=[N-] |
| InChI | InChI=1S/C31H32N8O4/c32-37-35-26-11-4-2-9-23(26)21-31(30(41)39-17-6-1-7-18-39)28(25-10-3-5-12-27(25)36-38-33)43-29(34-31)22-13-15-24(16-14-22)42-20-8-19-40/h2-5,9-16,28,40H,1,6-8,17-21H2/t28-,31-/m1/s1 |
| InChIKey | VLPQQABTJITFIP-GRKNLSHJSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Application: | central nervous system stimulant Any drug that enhances the activity of the central nervous system. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(4R,5R)-5-(2-azidophenyl)-4-[(2-azidophenyl)methyl]-2-[4-(3-hydroxypropoxy)phenyl]-5H-oxazol-4-yl]-(1-piperidinyl)methanone (CHEBI:125281) is a amphetamines (CHEBI:35338) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36752 | LINCS |