Temporary Disabled. :) please Go back aprepitant - Wikidata www.fgks.org » Address: [go: up one dir, main page] Include Form Remove Scripts Accept Cookies Show Images Show Referer Rotate13 Base64 Strip Meta Strip Title Session Cookies aprepitant (Q621834) From Wikidata Jump to navigation Jump to search chemical compound3-(((2R,3S)-3-(p-fluorophenyl)-2-(((alphaR)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl)oxy)morpholino)methyl)-Delta(2)-1,2,4-triazolin-5-one3-(((2R,3S)-3-(p-fluorophenyl)-2-(((alphar)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl)oxy)morpholino)methyl)-delta(2)-1,2,4-triazolin-5-one edit Language Label Description Also known as English aprepitant chemical compound 3-(((2R,3S)-3-(p-fluorophenyl)-2-(((alphaR)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl)oxy)morpholino)methyl)-Delta(2)-1,2,4-triazolin-5-one3-(((2R,3S)-3-(p-fluorophenyl)-2-(((alphar)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl)oxy)morpholino)methyl)-delta(2)-1,2,4-triazolin-5-one Statements instance of type of chemical entity 0 references subclass of chemical compound 0 references has use medication 0 references chemical structure Aprepitant.svg512 × 266; 8 KB 1 reference imported from Wikimedia project German Wikipedia mass 534.150188 dalton 1 reference stated in PubChem PubChem CID 135413536 language of work or name English title Aprepitant (English) retrieved 3 October 2016 stereoisomer of 5-{[(2S,3R)-2-{(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one 2 references based on heuristic inferred from InChIKey based on heuristic inferred from InChI 5-{[(2R,3R)-2-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one 1 reference based on heuristic inferred from InChI 5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-1,2,4-triazol-3-one 1 reference based on heuristic inferred from InChI chemical formula C₂₃H₂₁F₇N₄O₃ 1 reference stated in PubChem PubChem CID 135413536 language of work or name English title Aprepitant (English) retrieved 19 November 2016 canonical SMILES CC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NC(=O)NN3)c4ccc(cc4)F 1 reference stated in RCSB protein data bank PDB ligand ID GBQ language of work or name English retrieved 16 February 2021 isomeric SMILES C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NC(=O)NN3)c4ccc(cc4)F 1 reference stated in RCSB protein data bank PDB ligand ID GBQ language of work or name English retrieved 16 February 2021 defined daily dose 165 milligram route of administration oral administration 1 reference reference URL https://www.whocc.no/atc_ddd_index/?code=A04AD12 150 milligram route of administration parenteral route of administration 1 reference reference URL https://www.whocc.no/atc_ddd_index/?code=A04AD12 active ingredient in Emend 1 reference European Medicines Agency product number EMEA/H/C/000527 reference URL http://www.ema.europa.eu/ema/index.jsp?curl=pages/medicines/human/medicines/000527/human_med_000760.jsp retrieved 22 March 2017 Cinvanti 1 reference stated in RxNorm RxNorm ID 1995151 retrieved 14 February 2018 World Health Organisation international non-proprietary name aprepitant (English) 1 reference stated in ChEBI ChEBI ID 499361 language of work or name English title aprepitant (English) retrieved 3 October 2016 significant drug interaction rac-warfarin side effect decreased international normalised ratio 1 reference sourcing circumstances established stated in A reference set of clinically relevant adverse drug-drug interactions rac-warfarin side effect shortened prothrombin time 1 reference sourcing circumstances established stated in A reference set of clinically relevant adverse drug-drug interactions physically interacts with Tachykinin receptor 1 subject has role antagonist 1 reference stated in IUPHAR/BPS Guide to PHARMACOLOGY Guide to Pharmacology Ligand ID 3490 language of work or name English retrieved 17 August 2016 pregnancy category Australian pregnancy category B1 1 reference imported from Wikimedia project English Wikipedia US pregnancy category B 1 reference imported from Wikimedia project English Wikipedia LiverTox likelihood score LiverTox toxicity likelihood category E 1 reference stated in LiverTox retrieved 8 April 2021 reference URL https://www.ncbi.nlm.nih.gov/books/n/livertox/Aprepitant last update 25 July 2017 subject has role antiemetic 1 reference stated in Medical Subject Headings MeSH descriptor ID C114556 retrieved 15 March 2018 NK1 receptor antagonists 1 reference stated in Medical Subject Headings MeSH descriptor ID C114556 retrieved 15 March 2018 Commons category Aprepitant 0 references Identifiers 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 0 references InChIKey ATALOFNDEOCMKK-OITMNORJSA-N 1 reference stated in ChEBI release 2020-09-01 CAS Registry Number 170729-80-3 2 references stated in Global Substance Registration System UNII 1NF15YR6UY language of work or name English title aprepitant (English) retrieved 19 November 2016 InChIKey ATALOFNDEOCMKK-OITMNORJSA-N stated in CAS Common Chemistry retrieved 10 April 2021 reference URL https://commonchemistry.cas.org/detail?cas_rn=170729-80-3 ChemSpider ID 5293568 1 reference stated in ChemSpider ChemSpider ID 5293568 language of work or name English title aprepitant (English) retrieved 19 November 2016 PubChem CID 135413536 1 reference stated in PubChem PubChem CID 135413536 language of work or name English title Aprepitant (English) retrieved 19 November 2016 Reaxys registry number 8096869 1 reference stated in ChEBI ChEBI ID 499361 language of work or name English title aprepitant (English) retrieved 3 October 2016 ChEBI ID 499361 mapping relation type exact match 2 references stated in ChEMBL ChEMBL ID CHEMBL1471 language of work or name English title APREPITANT (English) retrieved 19 November 2016 matched by identifier from International Chemical Identifier 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 ChEMBL ID CHEMBL1471 1 reference stated in ChEMBL ChEMBL ID CHEMBL1471 language of work or name English title APREPITANT (English) retrieved 19 November 2016 SureChEMBL ID SCHEMBL264924 2 references based on heuristic inferred from InChIKey matched by identifier from InChIKey InChIKey ATALOFNDEOCMKK-OITMNORJSA-N UniChem compound ID 59034 1 reference stated in UniChem DSSTox substance ID DTXSID3049047 1 reference matched by identifier from InChIKey InChIKey ATALOFNDEOCMKK-OITMNORJSA-N DSSTOX compound identifier DTXCID801021794 0 references LiverTox ID Aprepitant 0 references NSC number 748825 0 references EC number 677-636-6 1 reference stated in ECHA Substance Infocard database ECHA Substance Infocard ID 100.202.762 retrieved 27 December 2018 title 3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy)-3-(4-fluorophenyl)morpholino]methyl]-1H-1,2,4-triazol-5(4H)-one (English) quotation CAS no.: 170729-80-3 (English) ECHA Substance Infocard ID 100.202.762 1 reference stated in ECHA Substance Infocard database ECHA Substance Infocard ID 100.202.762 retrieved 27 December 2018 title 3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy)-3-(4-fluorophenyl)morpholino]methyl]-1H-1,2,4-triazol-5(4H)-one (English) quotation CAS no.: 170729-80-3 (English) ATC code A04AD12 1 reference stated in DrugBank DrugBank ID 00673 language of work or name English title Aprepitant (English) publication date 17 November 2015 Guide to Pharmacology Ligand ID 3490 1 reference stated in IUPHAR/BPS Guide to PHARMACOLOGY Guide to Pharmacology Ligand ID 3490 language of work or name English title aprepitant (English) retrieved 19 November 2016 MeSH descriptor ID D000077608 subject named as Aprepitant 0 references MeSH tree code D03.383.533.640.125 0 references RxNorm ID 358255 1 reference stated in Global Substance Registration System UNII 1NF15YR6UY language of work or name English title aprepitant (English) retrieved 19 November 2016 DrugBank ID DB00673 1 reference matched by identifier from InChIKey InChIKey ATALOFNDEOCMKK-OITMNORJSA-N Human Metabolome Database ID HMDB0014811 2 references based on heuristic inferred from InChIKey matched by identifier from InChIKey InChIKey ATALOFNDEOCMKK-OITMNORJSA-N UNII 1NF15YR6UY 2 references stated in Global Substance Registration System UNII 1NF15YR6UY language of work or name English title aprepitant (English) retrieved 19 November 2016 matched by identifier from InChIKey InChIKey ATALOFNDEOCMKK-OITMNORJSA-N MedlinePlus drug identifier a604003 0 references NDF-RT ID N0000148809 1 reference stated in Global Substance Registration System UNII 1NF15YR6UY language of work or name English title aprepitant (English) retrieved 19 November 2016 Probes And Drugs ID PD009855 0 references DrugCentral ID 230 1 reference stated in UniChem KEGG ID D02968 1 reference stated in ChEBI ChEBI ID 499361 language of work or name English title aprepitant (English) retrieved 3 October 2016 PDB ligand ID GBQ 0 references DeCS ID 57711 0 references electronic Essential Medicines List medicine ID 536 0 references Freebase ID /m/056ll1 1 reference stated in Freebase Data Dumps publication date 28 October 2013 Microsoft Academic ID 2780574406 0 references OpenAlex ID C2780574406 1 reference stated in OpenAlex retrieved 26 January 2022 reference URL https://docs.openalex.org/download-snapshot/snapshot-data-format UMLS CUI C1176306 1 reference stated in Global Substance Registration System UNII 1NF15YR6UY language of work or name English title aprepitant (English) retrieved 19 November 2016 WikiProjectMed ID Aprepitant 0 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