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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | tirofiban hydrochloride | |
| Synonyms |
Aggrastat Tirofiban HCl (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid hydrochloride monohydrate Tirofiban hydrochloride monohydrate N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine hydrochloride monohydrate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_9606 |
|
| charge |
0
|
|
| database_cross_reference |
KEGG:D01029 CAS:150915-40-5 DrugBank:DB00775 Beilstein:6169319
|
|
| formula |
C22H39ClN2O6S
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|
| has part | ||
| has_exact_synonym |
N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine hydrochloride monohydrate
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Aggrastat Tirofiban HCl (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid hydrochloride monohydrate Tirofiban hydrochloride monohydrate
|
|
| id |
CHEBI:9606
|
|
| in_subset | ||
| 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
|
|
| label |
tirofiban hydrochloride
|
|
| mass |
495.07300
|
|
| monoisotopicmass |
494.22174
|
|
| notation |
CHEBI:9606
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|
| prefLabel |
tirofiban hydrochloride
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|
| smiles |
O.Cl.CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O
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| treeView | ||
| subClassOf |
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