| Stereochemistry | ACHIRAL |
| Molecular Formula | C29H29F6N3O2 |
| Molecular Weight | 565.5499 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2=CN=C(C=C2C3=CC=CC=C3C)N4CCOCC4
InChI
InChIKey=ZGNPLCMMVKCTHM-UHFFFAOYSA-N
InChI=1S/C29H29F6N3O2/c1-18-7-5-6-8-22(18)23-16-25(38-9-11-40-12-10-38)36-17-24(23)37(4)26(39)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17H,9-12H2,1-4H3
| Molecular Formula | C29H29F6N3O2 |
| Molecular Weight | 565.5499 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Befetupitant (Ro67-5930) is a high-affinity, competitive, tachykinin 1 receptor (NK1R) antagonist that was initially invented by Hoffmann-La Roche as a potential antiemetic drug. These studies were discontinued, because of the clinical trials with the more suitable drug, netupitant. Befetupitant was also investigated for topical application to reduced corneal neovascularization in the alkali burn model. However, the drug was toxic and was not tested in the suture model.
CNS Activity
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
| 1.0 nM [Ki] |
