CAS No.38194-50-2,Sulindac Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	38194-50-2
Name:	Sulindac
Article Data:	20

Formula:	C₂₀H₁₇FO₃S
Molecular Weight:	356.418
Synonyms:	1H-Indene-3-aceticacid, 5-fluoro-2-methyl-1-[[4-(methylsulfinyl)phenyl]methylene]-, (Z)-;(Z)-5-Fluoro-2-methyl-1-[p-(methylsulfinyl)benzylidene]indene-3-acetic acid;Aflodac;Arthrocine;Artribid;Clinoril;Clisundac;Imbaral;MK 231;Mobilin;Reumofil;Reumyl;Sudac;
EINECS:	253-819-2
Density:	1.38 g/cm³
Melting Point:	182-185 °C
Boiling Point:	581.6 °C at 760 mmHg
Flash Point:	305.6 °C
Solubility:	Soluble in water, methanol, ethanol.
Appearance:	yellow crystalline solid
Hazard Symbols:	Xn
Risk Codes:	22-63-42/43
Safety:	-
Transport Information:	UN 3249
PSA:	73.58000
LogP:	5.23120

Raw Materials

298-12-4

Downstream Products

Total:155 Page 1 of 5 1 2 3 4 5 Next>>

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Specification

The CAS registry number of Sulindac is 38194-50-2. The IUPAC name is 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid. In addition, the molecular formula is C₂₀H₁₇FO₃S. What's more, it is a non-steroidal anti-inflammatory drug which is derived from sulfinylindene. It is useful in the treatment of acute or chronic inflammatory conditions.

Physical properties about this chemical are: (1)ACD/LogP: 3.59; (2)ACD/LogD (pH 5.5): 2.33; (3)ACD/LogD (pH 7.4): 0.55; (4)ACD/BCF (pH 5.5): 17.3; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 117.35; (7)ACD/KOC (pH 7.4): 1.94; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 62.58 Å²; (12)Index of Refraction: 1.672; (13)Molar Refractivity: 96.22 cm³; (14)Molar Volume: 256.7 cm³; (15)Polarizability: 38.14 ×10^-24cm³; (16)Surface Tension: 65.9 dyne/cm; (17)Density: 1.38 g/cm³; (18)Flash Point: 305.6 °C; (19)Enthalpy of Vaporization: 91.48 kJ/mol; (20)Boiling Point: 581.6 °C at 760 mmHg; (21)Vapour Pressure: 2.27E-14 mmHg at 25°C.

Preparation of Sulindac: At first, 5-fluorine-2-methyl-3-oxo-2,3-dihydro-1H-indene can react with 2-nitrilylacetic acid to give a product(Ⅰ) through condensation reaction. Then the Sulindac can be prepared by reacting product(Ⅰ) with p-methylthiobenzaldehyde through condensation and oxidation reaction.

Sulindac can can be prepared by reacting product(Ⅰ) reacts with p-methylthiobenzaldehyde through condensation and oxidation reaction

Uses of Sulindac: it may be used in the treatment of preterm labor. In addition, it can react with N-hydroxy-succinimide to get [6-fluoro-3-(4-methanesulfinyl-benzylidene)-2-methyl-3H-inden-1-yl]-acetic acid 2,5-dioxo-pyrrolidin-1-yl ester. This reaction will need reagent DCC and solvent tetrahydrofuran. The reaction time is 1 hour at reaction temperature of 0 °C. The yield is about 35%.

Sulindac can react with N-hydroxy-succinimide to get [6-fluoro-3-(4-methanesulfinyl-benzylidene)-2-methyl-3H-inden-1-yl]-acetic acid 2,5-dioxo-pyrrolidin-1-yl ester

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. And it may cause sensitization by inhalation and skin contact. Moreover, it may has risk of harm to the unborn child. Besides, it should not be used by persons with a history of major allergic reactions (urticaria or anaphylaxis).

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(c1ccc(cc1)\C=C3/c2ccc(F)cc2\C(=C3C)CC(=O)O)C
(2)InChI: InChI=1/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
(3)InChIKey: MLKXDPUZXIRXEP-MFOYZWKCBF

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
infant	LDLo	oral	12mg/kg/2D-I (12mg/kg)	LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH BLOOD: HEMORRHAGE	Acta Paediatrica. Vol. 85, Pg. 884, 1996.
man	TDLo	oral	34mg/kg/6D-I (34mg/kg)		Journal of Rheumatology. Vol. 13, Pg. 1084, 1986.
man	TDLo	oral	43mg/kg/10D-I (43mg/kg)	LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LIVER: LIVER FUNCTION TESTS IMPAIRED BLOOD: LEUKOPENIA	JAMA, Journal of the American Medical Association. Vol. 244, Pg. 269, 1980.
man	TDLo	oral	343mg/kg (343mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION BLOOD: "CHANGES IN SERUM COMPOSITION (E.G., TP, BILIRUBIN, CHOLESTEROL)"	Journal of Toxicology, Clinical Toxicology. Vol. 33, Pg. 173, 1995.
mouse	LD50	intraperitoneal	305mg/kg (305mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 637, 1982.
mouse	LD50	oral	507mg/kg (507mg/kg)		Drugs in Japan Vol. 6, Pg. APP-6, 1982.
mouse	LD50	subcutaneous	398mg/kg (398mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 637, 1982.
rat	LD50	intraperitoneal	289mg/kg (289mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 637, 1982.
rat	LD50	oral	264mg/kg (264mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 30, Pg. 1398, 1980.
rat	LD50	subcutaneous	336mg/kg (336mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 637, 1982.
women	LDLo	oral	112mg/kg/2W-I (112mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE"	Journal of Rheumatology. Vol. 10, Pg. 512, 1983.
women	TDLo	oral	8mg/kg/10H-I (8mg/kg)	BEHAVIORAL: ANOREXIA (HUMAN BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Journal of Clinical Gastroenterology. Vol. 8, Pg. 569, 1986.