CHEBI:9605 - tirofiban

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ChEBI Name tirofiban
ChEBI ID CHEBI:9605
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:40602
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Formula C22H36N2O5S
Net Charge 0
Average Mass 440.59700
Monoisotopic Mass 440.234
InChI InChI=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
InChIKey COKMIXFXJJXBQG-NRFANRHFSA-N
SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O
Roles Classification
Biological Role(s): 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.
Application(s): fibrin modulating drug
A drug that affects the function of fibrin in blood coagulation.
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.
anticoagulant
An agent that prevents blood clotting.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 tirofiban hydrochloride (CHEBI:9606) has part tirofiban (CHEBI:9605)
IUPAC Name
N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine
INNs Sources
tirofibán ChEBI
tirofiban ChEBI
tirofibanum ChEBI
Synonyms Sources
(2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid IUPAC
N-(Butylsulfonyl)-O-(4-(4-piperidyl)butyl)-L-tyrosine ChemIDplus
Tirofiban KEGG COMPOUND
Manual Xrefs Databases
2680 DrugCentral
AGG PDBeChem
C07965 KEGG COMPOUND
D08607 KEGG DRUG
DB00775 DrugBank
EP478363 Patent
Tirofiban Wikipedia
US5292756 Patent
View more database links
Registry Numbers Types Sources
144494-65-5 CAS Registry Number ChemIDplus
6182267 Beilstein Registry Number Beilstein
Last Modified
22 February 2017