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38194-50-2

38194-50-2 structural image
Product Name: Sulindac
Formula: C20H17FO3S
Synonyms: (Z)-5-Fluoro-2-methyl-1-[p-(methylsulfinyl)benzylidene]indene-3-acetic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 183 °C
Solubility 3000 mg/L
LogP 3.42
Dissociation Constants 4.7
Collision Cross Section 192.6 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H301:Acute toxicity,oral
H317:Sensitisation, Skin
H334:Sensitisation, respiratory
H361:Reproductive toxicity
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P284:Wear respiratory protection.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P342+P311:IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 356.4 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 356.08824374 g/mol
Monoisotopic Mass 356.08824374 g/mol
Topological Polar Surface Area 73.6 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 616
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Sulindac is a monocarboxylic acid that is 1-benzylidene-1H-indene which is substituted at positions 2, 3, and 5 by methyl, carboxymethyl, and fluorine respectively, and in which the phenyl group of the benzylidene moiety is substituted at the para position by a methylsulfinyl group. It is a prodrug for the corresponding sulfide, a non-steroidal anti-inflammatory drug, used particularly in the treatment of acute and chronic inflammatory conditions. It has a role as a non-steroidal anti-inflammatory drug, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor, an antineoplastic agent, a non-narcotic analgesic, an antipyretic, an analgesic, a prodrug, a tocolytic agent and an apoptosis inducer. It is a sulfoxide, a monocarboxylic acid and an organofluorine compound. It is functionally related to an acetic acid.

RELATED SUPPLIERS

Piramal Pharma Solutions

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product:38194-50-2 Sulindac 99%

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All suppliers(3)