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CHEBI:9606 - tirofiban hydrochloride

ChEBI IDCHEBI:9606
ChEBI Nametirofiban hydrochloride
Stars
Last Modified9 January 2015
DownloadsMolfile
FormulaC22H36N2O5S.H2O.HCl
Net Charge0
Average Mass495.082
Monoisotopic Mass494.22174
SMILESCCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O.Cl.O
InChIInChI=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
InChIKeyHWAAPJPFZPHHBC-FGJQBABTSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
Tirofiban hydrochloride monohydrateChemIDplus
Tirofiban HClChemIDplus
(2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid hydrochloride monohydrateIUPAC
Brand Name  Source
AggrastatDrugBank
Manual XrefsDatabases
DB00775DrugBank
D01029KEGG DRUG
Registry NumbersSources
Beilstein:6169319Beilstein
CAS:150915-40-5ChemIDplus