aprepitant &#160; ingelesa (Q621834)

PubChem

Aprepitant (ingelesa)

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 ^ingelesa

3 urria 2016

stereoisomer of ^ingelesa

2 erreferentzia

based on heuristic ^ingelesa

inferred from InChIKey ^ingelesa

based on heuristic ^ingelesa

inferred from InChI ^ingelesa

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 ^ingelesa

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based on heuristic ^ingelesa

inferred from InChI ^ingelesa

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 ^ingelesa

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based on heuristic ^ingelesa

inferred from InChI ^ingelesa

formula kimikoa

C₂₃H₂₁F₇N₄O₃

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PubChem

Aprepitant (ingelesa)

19 azaroa 2016

SMILES

CC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NC(=O)NN3)c4ccc(cc4)F

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RCSB protein data bank ^ingelesa

PDB ligand ID ^ingelesa

GBQ

16 otsaila 2021

isomeric SMILES ^ingelesa

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

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RCSB protein data bank ^ingelesa

PDB ligand ID ^ingelesa

GBQ

16 otsaila 2021

defined daily dose ^ingelesa

165 miligramo

route of administration ^ingelesa

aho emate

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https://www.whocc.no/atc_ddd_index/?code=A04AD12

150 miligramo

route of administration ^ingelesa

parenteral route of administration ^ingelesa

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https://www.whocc.no/atc_ddd_index/?code=A04AD12

active ingredient in ^ingelesa

Emend ^ingelesa

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European Medicines Agency product number ^ingelesa

EMEA/H/C/000527

http://www.ema.europa.eu/ema/index.jsp?curl=pages/medicines/human/medicines/000527/human_med_000760.jsp

22 martxoa 2017

Cinvanti ^ingelesa

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RxNorm ^ingelesa

RxNorm ID ^ingelesa

1995151

14 otsaila 2018

World Health Organisation international non-proprietary name ^ingelesa

aprepitant (ingelesa)

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ChEBI ^ingelesa

aprepitant (ingelesa)

3 urria 2016

significant drug interaction ^ingelesa

Warfarina

side effect ^ingelesa

decreased international normalised ratio ^ingelesa

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iturriko gorabeherak

established ^ingelesa

A reference set of clinically relevant adverse drug-drug interactions ^ingelesa

Warfarina

side effect ^ingelesa

shortened prothrombin time ^ingelesa

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iturriko gorabeherak

established ^ingelesa

fisikoki honekin elkarrekintza du

A reference set of clinically relevant adverse drug-drug interactions ^ingelesa

Tachykinin receptor 1 ^ingelesa

subjektuak duen rola

Antagonista (biokimika)

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IUPHAR/BPS Guide to PHARMACOLOGY ^ingelesa

Guide to Pharmacology Ligand ID ^ingelesa

3490

17 abuztua 2016

pregnancy category ^ingelesa

Australian pregnancy category B1 ^ingelesa

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iturria

Ingelesezko Wikipedia

US pregnancy category B ^ingelesa

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iturria

Ingelesezko Wikipedia

LiverTox likelihood score ^ingelesa

LiverTox toxicity likelihood category E ^ingelesa

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LiverTox ^ingelesa

8 apirila 2021

https://www.ncbi.nlm.nih.gov/books/n/livertox/Aprepitant

25 uztaila 2017

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Medical Subject Headings

MeSH identifikadorea

C114556

15 martxoa 2018

NK1 receptor antagonists ^ingelesa

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Medical Subject Headings

MeSH identifikadorea

C114556

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

15 martxoa 2018

Commons-eko kategoria

Aprepitant

0 erreferentzia

Identifikatzaileak

InChI

0 erreferentzia

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ChEBI release 2020-09-01 ^ingelesa

CAS zenbakia

170729-80-3

2 erreferentzia

aprepitant (ingelesa)

19 azaroa 2016

CAS Common Chemistry ^ingelesa

10 apirila 2021

https://commonchemistry.cas.org/detail?cas_rn=170729-80-3

ChemSpider-ren identifikatzailea

5293568

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ChemSpider-ren identifikatzailea

ChemSpider ^ingelesa

5293568

aprepitant (ingelesa)

19 azaroa 2016

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PubChem

Aprepitant (ingelesa)

19 azaroa 2016

Reaxys registry number ^ingelesa

8096869

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ChEBI ^ingelesa

aprepitant (ingelesa)

3 urria 2016

mapping relation type ^ingelesa

exact match ^ingelesa

2 erreferentzia

ChEMBL-en identifikatzailea

ChEMBL ^ingelesa

CHEMBL1471

APREPITANT (ingelesa)

19 azaroa 2016

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

International Chemical Identifier ^ingelesa

InChI

ChEMBL-en identifikatzailea

CHEMBL1471

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ChEMBL-en identifikatzailea

ChEMBL ^ingelesa

CHEMBL1471

APREPITANT (ingelesa)

19 azaroa 2016

SureChEMBL ID ^ingelesa

SCHEMBL264924

2 erreferentzia

based on heuristic ^ingelesa

inferred from InChIKey ^ingelesa

InChIKey ^ingelesa

UniChem compound ID ^ingelesa

59034

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UniChem ^ingelesa

DSSTox substance ID ^ingelesa

DTXSID3049047

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InChIKey ^ingelesa

DSSTOX compound identifier ^ingelesa

DTXCID801021794

0 erreferentzia

LiverTox ID ^ingelesa

Aprepitant

0 erreferentzia

NSC number ^ingelesa

748825

0 erreferentzia

EC zenbakia

677-636-6

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ECHA Substance Infocard database ^ingelesa

ECHA Substance Infocard ID ^ingelesa

100.202.762

27 abendua 2018

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 (ingelesa)

quotation ^ingelesa

CAS no.: 170729-80-3 (ingelesa)

ECHA Substance Infocard ID ^ingelesa

100.202.762

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ECHA Substance Infocard database ^ingelesa

ECHA Substance Infocard ID ^ingelesa

100.202.762

27 abendua 2018

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 (ingelesa)

quotation ^ingelesa

CAS no.: 170729-80-3 (ingelesa)

ATC kodea

A04AD12

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DrugBank ^ingelesa

DrugBank ID ^ingelesa

00673

Aprepitant (ingelesa)

argitaratze-data

17 azaroa 2015

Guide to Pharmacology Ligand ID ^ingelesa

3490

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IUPHAR/BPS Guide to PHARMACOLOGY ^ingelesa

Guide to Pharmacology Ligand ID ^ingelesa

3490

aprepitant (ingelesa)

19 azaroa 2016

Aprepitant

0 erreferentzia

MeSH kodea

D03.383.533.640.125

0 erreferentzia

RxNorm ID ^ingelesa

358255

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aprepitant (ingelesa)

19 azaroa 2016

DrugBank ID ^ingelesa

DB00673

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InChIKey ^ingelesa

Human Metabolome Database ID ^ingelesa

HMDB0014811

2 erreferentzia

based on heuristic ^ingelesa

inferred from InChIKey ^ingelesa

InChIKey ^ingelesa

2 erreferentzia

aprepitant (ingelesa)

19 azaroa 2016

InChIKey ^ingelesa

MedlinePlus drug identifier ^ingelesa

a604003

0 erreferentzia

NDF-RT ID ^ingelesa

N0000148809

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aprepitant (ingelesa)

19 azaroa 2016

Probes And Drugs ID ^ingelesa

PD009855

0 erreferentzia

DrugCentral ID ^ingelesa

230

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KEGG-ren identifikatzailea

UniChem ^ingelesa

D02968

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ChEBI ^ingelesa

aprepitant (ingelesa)

Freebase-ren identifikatzailea

3 urria 2016

PDB ligand ID ^ingelesa

GBQ

0 erreferentzia

DeCS ID ^ingelesa

57711

0 erreferentzia

electronic Essential Medicines List medicine ID ^ingelesa

536

0 erreferentzia

/m/056ll1

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Microsoft Academic identifikatzailea

Freebase Data Dumps ^ingelesa

argitaratze-data

28 urria 2013

2780574406

0 erreferentzia

OpenAlex identifikatzailea

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26 urtarrila 2022

https://docs.openalex.org/download-snapshot/snapshot-data-format

UMLS CUI ^ingelesa

C1176306

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aprepitant (ingelesa)