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Neuroscience Information Framework (NIF) Standard Ontology
Last uploaded:
February 10, 2018
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| Preferred Name | tirofiban | |
| Synonyms |
N-(Butylsulfonyl)-O-(4-(4-piperidyl)butyl)-L-tyrosine tirofibanum (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid tirofiban Tirofiban N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_9605 |
|
| alternative label |
N-(Butylsulfonyl)-O-(4-(4-piperidyl)butyl)-L-tyrosine tirofibanum (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid tirofiban Tirofiban N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine
|
|
| charge |
0
|
|
| database_cross_reference |
Drug_Central:2680 Wikipedia:Tirofiban KEGG:C07965 DrugBank:DB00775 Beilstein:6182267 KEGG:D08607 Patent:US5292756 PDBeChem:AGG Patent:EP478363 CAS:144494-65-5
|
|
| 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.
|
|
| formula |
C22H36N2O5S
|
|
| has characteristic |
http://purl.obolibrary.org/obo/CHEBI_50249 |
|
| has exact synonym |
Tirofiban N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_50249 |
|
| has_alternative_id |
CHEBI:40602
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
N-(Butylsulfonyl)-O-(4-(4-piperidyl)butyl)-L-tyrosine tirofibanum (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid tirofiban
|
|
| id |
CHEBI:9605
|
|
| in_subset | ||
| 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
|
|
| label |
tirofiban
|
|
| mass |
440.59700
|
|
| monoisotopicmass |
440.23449
|
|
| notation |
CHEBI:9605
|
|
| note |
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.
|
|
| preferred label |
tirofiban
|
|
| prefLabel |
tirofiban
|
|
| smiles |
CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35358 |
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