Details
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
[H][C@@]12CN(C[C@]1([H])C(CC[C@@]2(O)C3=C(OC)C=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)[C@@H](C)C6=C(OC)C=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 |
|
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.
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:56:26 GMT 2023
by
admin
on
Fri Dec 15 16:56:26 GMT 2023
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Record UNII |
NRD5XF638P
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Record Status |
Validated (UNII)
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Record Version |
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Code | English | ||
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Common Name | English |
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NCI_THESAURUS |
C267
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admin on Fri Dec 15 16:56:26 GMT 2023 , Edited by admin on Fri Dec 15 16:56:26 GMT 2023
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7394
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132961
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153438-49-4
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100000083460
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SUB06907MIG
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C97963
Created by
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NRD5XF638P
Created by
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CHEMBL2103951
Created by
admin on Fri Dec 15 16:56:26 GMT 2023 , Edited by admin on Fri Dec 15 16:56:26 GMT 2023
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PRIMARY |
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