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CHEBI:85196 - peramivir hydrate

Default Structure
ChEBI IDCHEBI:85196
ChEBI Nameperamivir hydrate
Stars
DefinitionA hydrate that is the trihydrate form of peramivir. Used for the treatment of acute uncomplicated influenza in patients 18 years and older who have been symptomatic for no more than two days.
Last Modified7 January 2016
SubmitterSteve
DownloadsMolfile
FormulaC15H28N4O4.4H2O
Net Charge0
Average Mass400.473
Monoisotopic Mass400.25331
SMILESO.O.O.O.[H][C@@]1([C@@H](NC(C)=O)C(CC)CC)[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N
InChIInChI=1S/C15H28N4O4.4H2O/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23;;;;/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19);4*1H2/t9-,10+,11+,12-,13+;;;;/m0..../s1
InChIKeyUGTYTOKVOXBJBZ-LINPMSLLSA-N
Wikipedia
Roles Classification
Biological Roles:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor  An antiviral drug targeted at influenza viruses. Its mode of action consists of blocking the function of the viral neuraminidase protein (EC 3.2.1.18), thus preventing the virus from budding from the host cell.
Applications:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor  An antiviral drug targeted at influenza viruses. Its mode of action consists of blocking the function of the viral neuraminidase protein (EC 3.2.1.18), thus preventing the virus from budding from the host cell.
ChEBI Ontology
Outgoing Relation(s)
peramivir hydrate (CHEBI:85196) has role antiviral drug (CHEBI:36044)
peramivir hydrate (CHEBI:85196) has role EC 3.2.1.18 (exo-α-sialidase) inhibitor (CHEBI:52425)
peramivir hydrate (CHEBI:85196) is a hydrate (CHEBI:35505)
Incoming Relation(s)
peramivir (CHEBI:85202) has part peramivir hydrate (CHEBI:85196)
IUPAC Name 
(1S,2S,3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-carbamimidamido-2-hydroxycyclopentane-1-carboxylic acid—water (1/3)
INN  Source
peramivirKEGG DRUG
Synonym  Source
Peramivir trihydrateChemIDplus
Brand Name  Source
RAPIVABKEGG DRUG
Manual XrefsDatabases
D03829KEGG DRUG
PeramivirWikipedia
Registry NumbersSources
Reaxys:18582192Reaxys
CAS:1041434-82-5ChemIDplus
Citations