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CHEBI:9605 - tirofiban

ChEBI IDCHEBI:9605
ChEBI Nametirofiban
Stars
DefinitionA member of the class of piperidines that is L-tyrosine in which a hydrogen attached to the amino group is replaced by a butylsulfonyl group and in which the hydrogen attached to the phenolic hydroxy group is replaced by a 4-(piperidin-4-yl)butyl group.
Secondary ChEBI IDCHEBI:40602
Last Modified22 February 2017
DownloadsMolfile
FormulaC22H36N2O5S
Net Charge0
Average Mass440.606
Monoisotopic Mass440.23449
SMILESCCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O
InChIInChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1
InChIKeyCOKMIXFXJJXBQG-NRFANRHFSA-N
Wikipedia
Roles Classification
Biological Role:
platelet glycoprotein-IIb/IIIa receptor antagonist  Antagonist of platelet surface glycoprotein-IIb/IIIa which has a key role in hemostasis and thrombosis such as platelet adhesion and aggregation.
Applications:
platelet glycoprotein-IIb/IIIa receptor antagonist  Antagonist of platelet surface glycoprotein-IIb/IIIa which has a key role in hemostasis and thrombosis such as platelet adhesion and aggregation.
fibrin modulating drug  A drug that affects the function of fibrin in blood coagulation.
anticoagulant  An agent that prevents blood clotting.
ChEBI Ontology
Outgoing Relation(s)
tirofiban (CHEBI:9605) has role anticoagulant (CHEBI:50249)
tirofiban (CHEBI:9605) has role fibrin modulating drug (CHEBI:48676)
tirofiban (CHEBI:9605) has role platelet glycoprotein-IIb/IIIa receptor antagonist (CHEBI:50433)
tirofiban (CHEBI:9605) is a L-tyrosine derivative (CHEBI:27177)
tirofiban (CHEBI:9605) is a piperidines (CHEBI:26151)
tirofiban (CHEBI:9605) is a sulfonamide (CHEBI:35358)
Incoming Relation(s)
tirofiban hydrochloride (CHEBI:9606) has part tirofiban (CHEBI:9605)
IUPAC Name 
N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine
INNs  Source
tirofibanChEBI
tirofibánChEBI
tirofibanumChEBI
Synonyms  Source
TirofibanKEGG COMPOUND
(2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acidIUPAC
N-(Butylsulfonyl)-O-(4-(4-piperidyl)butyl)-L-tyrosineChemIDplus
Manual XrefsDatabases
C07965KEGG COMPOUND
AGGPDBeChem
DB00775DrugBank
EP478363Patent
US5292756Patent
TirofibanWikipedia
D08607KEGG DRUG
2680DrugCentral
Registry NumbersSources
Beilstein:6182267Beilstein
CAS:144494-65-5ChemIDplus