Type: | Metabolite |
PubChem: | 10021324 |
DrugBank: | None |
IUPAC: | (2S,3S)-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one |
Standard InChI: | InChI=1S/C19H22N2O3S/c1-20(2)11-12-21-15-5-3-4-6-16(15)25-18(17(23)19(21)24)13-7-9-14(22)10-8-13/h3-10,17-18,22-23H,11-12H2,1-2H3/t17-,18+/m1/s1 |
Standard InChIKey: | QYKYTLTVPBXRNC-MSOLQXFVSA-N |
SMILES: | CN(C)CCN1C(=O)C(O)C(C2=CC=C(O)C=C2)SC2=CC=CC=C21 |
Chemical Structure | Parent compounds name | Reaction name | Genus | Species | Reference |
---|---|---|---|---|---|
O-Desmethyldiltiazem | Deacylation | Gut microbiota | Gut microbiota | 10.1038/s41586-019-1291-3 |