tirofiban (aggrastat) Report issue

Small molecule Approved FDA Priority Review FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

495.08

ALogP

2.95

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O.Cl.CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O
  • InChIKey: HWAAPJPFZPHHBC-FGJQBABTSA-N
    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
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3189072   ChEMBL
tirofiban hydrochloride *

CHEMBL1704   ChEMBL
tirofiban hydrochloride

CHEMBL916   ChEMBL
tirofiban

GGX234SI5H   NCATS
tirofiban *

Tirofiban   Wikipedia

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