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144494-65-5

144494-65-5 structural image
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
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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.

RELATED SUPPLIERS

KARPSCHEM LABORATORIES PVT. LTD.

1Y
product:144494-65-5 Tirofiban (S)-2-(butylsulfonamido)-3-(4-(4-(piperidin-4- yl)butoxy)phenyl)propanoic acid 96%
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