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ChEBI
> Main
CHEBI:9606 - tirofiban hydrochloride
Main
ChEBI Ontology
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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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Molfile
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Molfile
Molfile
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
(2
S
)-
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