Type: | Approved drug |
PubChem: | 5281069 |
DrugBank: | DB00283 |
IUPAC: | (E)-2-butenedioic acid;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine |
Standard InChI: | InChI=1S/C21H26ClNO.C4H4O4/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2;5-3(6)1-2-4(7)8/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t20-,21-;/m1./s1 |
Standard InChIKey: | PMGQWSIVQFOFOQ-YKVZVUFRSA-N |
SMILES: | CN1CCCC1CCOC(C)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1.O=C(O)C=CC(=O)O |
Metabolism-related information: | No data |
Reference: | No data |
Chemical Structure | Metablite's name | Reaction name | Genus | Species | Reference |
---|---|---|---|---|---|
None | Unknown | Unknown | Gut microbiota | Gut microbiota | 10.1038/s41586-019-1291-3 |