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CHEBI:754980 - methylsamidorphan
| Formula | C22H29N2O4 |
| Net Charge | +1 |
| Average Mass | 385.484 |
| Monoisotopic Mass | 385.21218 |
| SMILES | [H][C@]12Cc3ccc(C(N)=O)c(O)c3[C@@]3(CC[N@+]1(C)CC1CC1)CC(=O)CC[C@]32O |
| InChI | InChI=1S/C22H28N2O4/c1-24(12-13-2-3-13)9-8-21-11-15(25)6-7-22(21,28)17(24)10-14-4-5-16(20(23)27)19(26)18(14)21/h4-5,13,17,28H,2-3,6-12H2,1H3,(H2-,23,26,27)/p+1/t17-,21-,22-,24-/m1/s1 |
| InChIKey | ATCVVCBJNHXIEX-ZAHKBLQYSA-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. |
| Application: | 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) |
| methylsamidorphan (CHEBI:754980) has role laxative (CHEBI:50503) |
| methylsamidorphan (CHEBI:754980) is a phenanthrenes (CHEBI:25961) |
| Synonyms | Source |
|---|---|
| ALKS 37 | ChEMBL |
| ALKS37 | ChEMBL |
| ALKS-37 CATION | ChEMBL |
| Methylsamidorphan | ChEMBL |
| Methylsamidorphan cation | ChEMBL |
| Methylsamidorphan ion | ChEMBL |