EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | HCl.C21H25NO4 |
| Net Charge | 0 |
| Average Mass | 391.895 |
| Monoisotopic Mass | 391.15504 |
| SMILES | Cl.[H][C@]12Cc3ccc(O)c4c3[C@@]3(CCN1CC=C(C)C)[C@@H](O4)C(=O)CC[C@]32O |
| InChI | InChI=1S/C21H25NO4.ClH/c1-12(2)6-9-22-10-8-20-17-13-3-4-14(23)18(17)26-19(20)15(24)5-7-21(20,25)16(22)11-13;/h3-4,6,16,19,23,25H,5,7-11H2,1-2H3;1H/t16-,19+,20+,21-;/m1./s1 |
| InChIKey | PJDUKHQNUMOJLL-OPHZJPRHSA-N |
| Roles Classification |
|---|
| Biological Role: | xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| nalmexone hydrochloride (CHEBI:752755) is a phenanthrenes (CHEBI:25961) |
| Synonyms | Source |
|---|---|
| EN-1620A | ChEMBL |
| Nalmexone hcl | ChEMBL |
| Nalmexone hydrochloride | ChEMBL |