33Y
1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
Find entries where: 33Y
is present as a standalone ligand in 2 entries
Chemical Component Summary | |
|---|---|
| Name | 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate |
| Identifiers | propan-2-yl 3-(3,4-difluorophenyl)carbonyl-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate |
| Formula | C25 H24 F2 N2 O3 |
| Molecular Weight | 438.466 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(C)OC(=O)C1=CN(CC(c2c1[nH]c3c2cccc3)(C)C)C(=O)c4ccc(c(c4)F)F |
| InChI | InChI=1S/C25H24F2N2O3/c1-14(2)32-24(31)17-12-29(23(30)15-9-10-18(26)19(27)11-15)13-25(3,4)21-16-7-5-6-8-20(16)28-22(17)21/h5-12,14,28H,13H2,1-4H3 |
| InChIKey | INASOKQDNHHMRE-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 56 |
| Chiral Atom Count | 0 |
| Bond Count | 59 |
| Aromatic Bond Count | 16 |
Drug Info: DrugBank
| DrugBank ID | DB12719? |
|---|---|
| Name | Turofexorate isopropyl |
| Groups | investigational |
| Description | Fxr 450 is under investigation in clinical trial NCT00509756 (Study Evaluating Turofexorate isopropyl in Healthy Japanese Men). |
| Synonyms | Turofexorate isopropyl |
| Categories | Heterocyclic Compounds, Fused-Ring |
| CAS number | 629664-81-9 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL454138 |
| PubChem | 10026128 |
| ChEMBL | CHEMBL454138 |
