144494-65-5
Product Name:
Tirofiban
Formula:
C22H36N2O5S
Synonyms:
(2S)-2-(Butylsulfonylamino)-3-{4-[4-(4-piperidyl)butoxy}phenyl propanoic acid;N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-L -tyrosine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | White solid |
| Melting Point | 223-225 °C |
| Solubility | Very slightly soluble |
| Vapor Pressure | 5.2X10-16 mmHg at 25 °C /Estimated/ |
| LogP | 1.4 |
| Henry's Law Constant | Henry's Law constant = 7.4X10-15 atm-cu m/mole at 25 °C /Estimated/ |
| Dissociation Constants | pKa = 3.3 (carboxylic acid); pKa = 10.5 (amine) /Estimated/ |
| Other Experimental Properties | White to off-white, non-hygroscopic, free-flowing powder; MW: 495.08; very slightly soluble in water. /Tirofiban hydrochloride salt mono hydrate/ |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 440.6 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 14 |
| Exact Mass | 440.23449343 g/mol |
| Monoisotopic Mass | 440.23449343 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 579 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Tirofiban is 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. It has a role as a fibrin modulating drug, a platelet glycoprotein-IIb/IIIa receptor antagonist and an anticoagulant. It is a member of piperidines, a sulfonamide and a L-tyrosine derivative.