Simethicone

Names

[ Name ]:
Simethicone

[Synonym ]:
4-trimethylsilylstyrene
poly(3-hexylthiophene)
poly(4-trimethylsilylstyrene)
Simethicone
p-(Trimethylsilyl)styrene
trimethyl-(4-vinyl-phenyl)-silane
3-(Hex-1-yl)thiophene
poly(acrylamide)
3-hexyltiophene

Biological Activity

[Description]:

Simethicone is an orally active defoamer. Simethicone reduces the surface tension of air bubbles in the gastrointestinal tract, causing them to be expelled by vomiting, exhalation or absorption into the bloodstream. Simethicone has potential applications in flatulence and colic[1].

[Related Catalog]:

Research Areas >> Others

Signaling Pathways >> Others >> Others

[In Vivo]

Simethicone (200 mg/kg；口服；单剂量) 在大鼠中具有肠胃调节功能[2]。 Simethicone (20 mg/kg；口服；单剂量) 在兔子中显示出空肠调节作用[3]。 Animal Model: Female adult Wistar rats (200–250 g)[2]. Dosage: 50, 100 and 200 mg/kg. Administration: Oral gavage; single dose. Result: Improved colon permeability and hypersensitivity (200 mg/kg). Animal Model: Adult New Zealand White (NZW) rabbits[3]. Dosage: 20 mg/kg. Administration: Oral gavage; single dose. Result: Improved image quality scores for the jejunum without affecting left kidney, right kidney and gallbladder.

[References]

[1]. Voepel-Lewis TD, et al. Evaluation of simethicone for the treatment of postoperative abdominal discomfort in infants. J Clin Anesth. 1998 Mar;10(2):91-4.

[2]. Bueno L, et al. Influence of simethicone and alverine on stress-induced alterations of colonic permeability and sensitivity in rats: beneficial effect of their association. J Pharm Pharmacol. 2013 Apr;65(4):567-73.

[3]. da Silva KG, et al. Influence of simethicone and fasting on the quality of abdominal ultrasonography in New Zealand White rabbits. Acta Vet Scand. 2017 Jul 17;59(1):48.

Chemical & Physical Properties

[ Density]:
1 g/mL at 20ºC

[ Boiling Point ]:
96.5ºC at 760 mmHg

[ Molecular Formula ]:
C₆H₁₈O₄Si₃

[ Molecular Weight ]:
238.46100

[ Flash Point ]:
6.3ºC

[ Exact Mass ]:
238.05100

[ PSA ]:
52.60000

[ LogP ]:
1.56770

[ Appearance of Characters ]:
emulsion | Colorless

[ Vapour Pressure ]:
5 mm Hg ( 20 °C)

[ Index of Refraction ]:
n20/D 1.406

[ Storage condition ]:
room temp

[ Water Solubility ]:
Practically insoluble in water, very slightly soluble or practically insoluble in anhydrous ethanol, practically insoluble in methanol, partly miscible with ethyl acetate, with methylene chloride, with methyl ethyl ketone and with toluene.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: VW6200000

CHEMICAL NAME :: Simethicone

CAS REGISTRY NUMBER :: 8050-81-5

LAST UPDATED :: 199504

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 900 mg/kg

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - respiratory stimulation

REFERENCE :: AMSGAO AMA Archives of Surgery. (Chicago, IL) V.61-80, 1950-60. For publisher information, see ARSUAX. Volume(issue)/page/year: 78,220,1959

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Parenteral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 20 mg/kg

TOXIC EFFECTS :: Brain and Coverings - other degenerative changes

REFERENCE :: AMSGAO AMA Archives of Surgery. (Chicago, IL) V.61-80, 1950-60. For publisher information, see ARSUAX. Volume(issue)/page/year: 78,220,1959 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4515 No. of Facilities: 1163 (estimated) No. of Industries: 6 No. of Occupations: 20 No. of Employees: 90654 (estimated) No. of Female Employees: 75193 (estimated)

Safety Information

[ Hazard Codes ]:
Xn: Harmful;Xi: Irritant;

[ Risk Phrases ]:
36/37-20

[ Safety Phrases ]:
26-36-23

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
TQ2690000

Articles

The effects of loperamide, or loperamide plus simethicone, on the distribution of gut water as assessed by MRI in a mannitol model of secretory diarrhoea.

Aliment. Pharmacol. Ther. 36(1) , 64-73, (2012)

Loperamide (LOP) is an anti-diarrhoeal agent which is thought to act largely by slowing transit with an uncertain effect on the fluid content of the small and large bowel in humans. Adding simethicone...

Commentary: low-volume bowel preparation for colonoscopy - authors' reply.

Aliment. Pharmacol. Ther. 36(10) , 989, (2012)

Commentary: low-volume bowel preparation for colonoscopy.

Aliment. Pharmacol. Ther. 36(10) , 988-9, (2012)

Related Compounds

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