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CHEBI:136007 - methylnaltrexone
| Formula | C21H26NO4 |
| Net Charge | +1 |
| Average Mass | 356.442 |
| Monoisotopic Mass | 356.18563 |
| SMILES | [H][C@@]12Oc3c(O)ccc4c3[C@@]13CC[N+](C)(CC1CC1)[C@]([H])(C4)[C@]3(O)CCC2=O |
| InChI | InChI=1S/C21H25NO4/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13/h4-5,12,16,19,25H,2-3,6-11H2,1H3/p+1/t16-,19+,20+,21-,22?/m1/s1 |
| InChIKey | JVLBPIPGETUEET-GAAHOAFPSA-O |
| 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. |
| Applications: | gastrointestinal drug A drug used for its effects on the gastrointestinal system, e.g. controlling gastric acidity, regulating gastrointestinal motility and water flow, and improving digestion. renoprotective agent Any compound that is able to prevent damage to the kidneys. laxative An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methylnaltrexone (CHEBI:136007) has role gastrointestinal drug (CHEBI:55324) |
| methylnaltrexone (CHEBI:136007) has role laxative (CHEBI:50503) |
| methylnaltrexone (CHEBI:136007) has role renoprotective agent (CHEBI:231911) |
| methylnaltrexone (CHEBI:136007) is a phenanthrenes (CHEBI:25961) |
| Synonyms | Source |
|---|---|
| Methylnaltrexone | ChEMBL |
| methylnaltrexone bromide | DrugCentral |
| Methylnaltrexone cation | ChEMBL |
| Methylnaltrexone ion | ChEMBL |
| methylnaltrexonium | DrugCentral |
| MRZ-2663 | ChEMBL |
| Manual Xrefs | Databases |
|---|---|
| 4616 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| CAS:83387-25-1 | DrugCentral |
| Citations |
|---|