CHEBI:9606 - tirofiban hydrochloride

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ChEBI Name tirofiban hydrochloride
ChEBI ID CHEBI:9606
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C22H39ClN2O6S
Net Charge 0
Average Mass 495.07300
Monoisotopic Mass 494.22174
InChI InChI=1S/C22H36N2O5S.ClH.H2O/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);1H;1H2/t21-;;/m0../s1
InChIKey HWAAPJPFZPHHBC-FGJQBABTSA-N
SMILES O.Cl.CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O
ChEBI Ontology
Outgoing tirofiban hydrochloride (CHEBI:9606) has part tirofiban (CHEBI:9605)
tirofiban hydrochloride (CHEBI:9606) is a hydrochloride (CHEBI:36807)
IUPAC Name
N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine hydrochloride monohydrate
Synonyms Sources
(2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid hydrochloride monohydrate IUPAC
Tirofiban HCl ChemIDplus
Tirofiban hydrochloride monohydrate ChemIDplus
Brand Name Source
Aggrastat DrugBank
Manual Xrefs Databases
D01029 KEGG DRUG
DB00775 DrugBank
View more database links
Registry Numbers Types Sources
150915-40-5 CAS Registry Number ChemIDplus
6169319 Beilstein Registry Number Beilstein
Last Modified
09 January 2015