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fosaprepitant dimeglumine
An organoammonium salt obtained by reaction of fosaprepitant with two equivalents of 1-deoxy-1-(methylamino)-D-glucitol. A substance P/neurokinin 1 (NK1) receptor antagonist. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors. Aprepitant has little or no affinity for serotonin (5-HT3), dopamine, and corticosteroid receptors, the targets of existing therapies for chemotherapy-induced nausea and vomiting and postoperative nausea and vomiting


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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 pharmacological uses [CHEBI:52210] (736) 
 antagonist [CHEBI:48706] (126) 
 neurokinin-1 receptor antagonist [CHEBI:55350] (3) 
 fosaprepitant dimeglumine [CHEBI:64311] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 prodrug [CHEBI:50266] (88) 
 fosaprepitant dimeglumine [CHEBI:64311] (1)
 antiemetic [CHEBI:50919] (41) 
 fosaprepitant dimeglumine [CHEBI:64311] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 pnictogen molecular entity [CHEBI:33302] (10027) 
 nitrogen molecular entity [CHEBI:51143] (7930) 
 ammonium compound [CHEBI:35276] (129) 
 organoammonium salt [CHEBI:46850] (104) 
 fosaprepitant dimeglumine [CHEBI:64311] (1)
ChEBI Compound Accession Identifier  [CHEBI:64311]
ChEBI Compound Description  An organoammonium salt obtained by reaction of fosaprepitant with two equivalents of 1-deoxy-1-(methylamino)-D-glucitol. A substance P/neurokinin 1 (NK1) receptor antagonist. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors. Aprepitant has little or no affinity for serotonin (5-HT3), dopamine, and corticosteroid receptors, the targets of existing therapies for chemotherapy-induced nausea and vomiting and postoperative nausea and vomiting
ChEBI Compound Identification Number  64311
ChEBI InChI Value  "InChI=1S/C23H22F7N4O6P.2C7H17NO5/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38);2*4-13H,2-3H2,1H3/t12-,19+,20-;2*4-,5+,6+,7+/m100/s1"
ChEBI InChIKey Value  VRQHBYGYXDWZDL-OOZCZQCLSA-N
ChEBI Compound Name  fosaprepitant dimeglumine
ChEBI SMILES Value  CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.C[C@@H](O[C@H]1OCCN(Cc2nn(c(=O)[nH]2)P(O)(O)=O)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
ChEBI Substance ID  135668307
ChEBI URL  ChEBI:64311
ChemSpider ID  5293569
Ontomatica Chemical Accession Key (OnChAKey)  VRQHBYGYXDWZDL_OOZCZQCLSA_N_000_000000
PubChem Compound ID  15527165