| Stereochemistry | ABSOLUTE |
| Molecular Formula | C37H39NO4 |
| Molecular Weight | 561.7099 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC=CC=C1[C@H](C)C(=O)N2C[C@@H]3[C@H](C2)C(CC[C@@]3(O)C4=CC=CC=C4OC)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChIKey=CCIWVEMVBWEMCY-RCFOMQFPSA-N
InChI=1S/C37H39NO4/c1-26(29-18-10-12-20-33(29)41-2)35(39)38-24-31-32(25-38)37(40,30-19-11-13-21-34(30)42-3)23-22-36(31,27-14-6-4-7-15-27)28-16-8-5-9-17-28/h4-21,26,31-32,40H,22-25H2,1-3H3/t26-,31-,32+,37+/m0/s1
| Molecular Formula | C37H39NO4 |
| Molecular Weight | 561.7099 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Dapitant is an antagonist of neurokinin 1 (NK1) receptor, discovered by the French company Rhône-Poulenc Rorer. NK1 receptors are thought to mediate the neurogenic inflammatory effects of substance P. Dapitant demonstrated efficacy as an antimigraine agent in several animal models. However, in a global, double-blind, randomize, placebo-controlled trial in patients with migraine attacks with moderate or severe headache intensity, treatment with dapitant did not lead to an improvement in the intensity of headache, and the development of the drug was discontinued.
