loading...| Preferred Name |
tirofiban hydrochloride |
|
| Synonyms |
N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine hydrochloride monohydrate Tirofiban HCl (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid hydrochloride monohydrate Tirofiban hydrochloride monohydrate Aggrastat |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_9606 |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:D01029 Beilstein:6169319 DrugBank:DB00775 CAS:150915-40-5 |
|
| formula |
C22H39ClN2O6S |
|
| has part | ||
| has_exact_synonym |
N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine hydrochloride monohydrate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Tirofiban HCl (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid hydrochloride monohydrate Tirofiban hydrochloride monohydrate Aggrastat |
|
| 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 |
|
| prefLabel |
tirofiban hydrochloride |
|
| smiles |
O.Cl.CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O |
|
| subClassOf |