Tirofiban hydrochlorideProduct ingredient for Tirofiban
- Name
- Tirofiban hydrochloride
- Drug Entry
- Tirofiban
Tirofiban prevents the blood from clotting during episodes of chest pain or a heart attack, or while the patient is undergoing a procedure to treat a blocked coronary artery. It is a non-peptide reversible antagonist of the platelet glycoprotein (GP) IIb/IIIa receptor, and inhibits platelet aggregation.
- Accession Number
- DBSALT001454
- Structure
Structure for Tirofiban hydrochloride (DBSALT001454)
- Synonyms
- Tirofiban HCl
- UNII
- 6H925F8O5J
- CAS Number
- 150915-40-5
- Weight
- Average: 495.07
Monoisotopic: 494.2217359 - Chemical Formula
- C22H39ClN2O6S
- InChI Key
- HWAAPJPFZPHHBC-FGJQBABTSA-N
- 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
- IUPAC Name
- (2S)-2-(butane-1-sulfonamido)-3-{4-[4-(piperidin-4-yl)butoxy]phenyl}propanoic acid hydrate hydrochloride
- SMILES
- O.Cl.[H][C@@](CC1=CC=C(OCCCCC2CCNCC2)C=C1)(NS(=O)(=O)CCCC)C(O)=O
- External Links
- ChemSpider
- 54911
- ChEBI
- 9606
- ChEMBL
- CHEMBL3189072
- Wikipedia
- Tirofiban
- Predicted Properties
Property Value Source Water Solubility 0.00317 mg/mL ALOGPS logP 1.78 ALOGPS logP 0.6 Chemaxon logS -5.1 ALOGPS pKa (Strongest Acidic) 3.17 Chemaxon pKa (Strongest Basic) 10.21 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 104.73 Å2 Chemaxon Rotatable Bond Count 13 Chemaxon Refractivity 117.48 m3·mol-1 Chemaxon Polarizability 49.98 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon