Type: | Approved drug |
PubChem: | 5358812 |
DrugBank: | None |
IUPAC: | (Z)-2-butenedioic acid;1-methyl-4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine |
Standard InChI: | InChI=1S/C20H24N2S2.C4H4O4/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20;5-3(6)1-2-4(7)8/h3-8,14,18H,9-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
Standard InChIKey: | IWDBEHWZGDSFHR-BTJKTKAUSA-N |
SMILES: | CSC1=CC=C2SC3=CC=CC=C3CC(N3CCN(C)CC3)C2=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 |