Drugs Information: Aprepitant
Basic Information
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| ID | DDInter112 | |
| Drug Type | small molecule | |
| Molecular Formula | C23H21F7N4O3 | |
| Molecular Weight | 534.432 | |
| Description | Aprepitant is a substance P/neurokinin 1 receptor antagonist used to treat nausea and vomiting caused by chemotherapy and surgery. | |
| ATC Classification | A04AD12 | |
| IUPAC Name | 3-{[(2R,3S)-2-[(1R)-1-[3,5-Bis(Trifluoromethyl)Phenyl]Ethoxy]-3-(4-Fluorophenyl)Morpholin-4-Yl]Methyl}-4,5-Dihydro-1H-1,2,4-Tria | |
| InChI | Inchi=1S/C23H21F7N4O3/C1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/H2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/T12-,19+,20-/M1/S1 | |
| InChI Key | ATALOFNDEOCMKK-OITMNORJSA-N | |
| Canonical SMILES | C[C@@H](O[C@H]1OCCN(CC2=NNC(=O)N2)[C@H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F | |
| Useful Links | DrugBank ChEMBL PubChem | |
Interactions with Aprepitant
| Severity level | ID | Name | Mechanism | Detail |
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