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Chemistry

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Also known as: 7727-43-7, Barite, Baritop, Barytes, Barium sulphate, Barite (ba(so4))

Molecular Formula

BaO₄S

Molecular Weight

233.39 g/mol

InChI Key

TZCXTZWJZNENPQ-UHFFFAOYSA-L

FDA UNII

25BB7EKE2E

A compound used as an x-ray contrast medium that occurs in nature as the mineral barite. It is also used in various manufacturing applications and mixed into heavy concrete to serve as a radiation shield.

Barium sulfate is a Radiographic Contrast Agent. The mechanism of action of barium sulfate is as a X-Ray Contrast Activity.

1 2D Structure

Barium Sulfate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

barium(2+);sulfate

2.1.2 InChI

InChI=1S/Ba.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2

2.1.3 InChI Key

TZCXTZWJZNENPQ-UHFFFAOYSA-L

2.1.4 Canonical SMILES

[O-]S(=O)(=O)[O-].[Ba+2]

2.2 Other Identifiers

2.2.1 UNII

25BB7EKE2E

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Barite

2. Baritop

3. Barium Sulfate (2:1)

4. E Z Cat

5. E-z-cat

6. Ezcat

7. Micropaque Oral

8. Sulfate, Barium

2.3.2 Depositor-Supplied Synonyms

1. 7727-43-7

2. Barite

3. Baritop

4. Barytes

5. Barium Sulphate

6. Barite (ba(so4))

7. Barosperse

8. Barotrast

9. Esophotrast

10. Liquipake

11. Macropaque

12. Micropaque

13. Microtrast

14. Radiobaryt

15. Radiopaque

16. Entrobar

17. Enemark

18. Enecat

19. Blanc Fixe

20. Enamel White

21. 13462-86-7

22. Readi-cat

23. Liquid E-z-paque

24. E-z-paque

25. Pigment White 22

26. Baryte

27. C.i. Pigment White 21

28. E-z-hd

29. Barium(2+);sulfate

30. Sulfuric Acid, Barium Salt (1:1)

31. Baso4

32. Barimite-xf

33. Volumen

34. Spezialsorte Ai

35. Ci 77120

36. Tagitol V

37. Readi-cat2

38. Readi-cat2 Smoothies

39. C.i. Pigment White 22

40. Sachtoperse Ab-tm 18383

41. 25bb7eke2e

42. Mfcd00003455

43. Colonatrast

44. Liquibarine

45. Actybaryte

46. Bakontal

47. Baraflave

48. Baricon

49. Baridol

50. Barobag

51. Barocat

52. Barodense

53. Baroloid

54. Barytgen

55. Baryxine

56. Basofor

57. Bayrites

58. Citobaryum

59. Danobaryt

60. Finemeal

61. Intropaque

62. Lactobaryt

63. Microbar

64. Microfanox

65. Mixobar

66. Neobalgin

67. Novopaque

68. Oesobar

69. Oratrast

70. Polibar

71. Supramike

72. Suspobar

73. Tixobar

74. Tonopaque

75. Topcontral

76. Unibaryt

77. Eweiss

78. Neobar

79. Raybar

80. Travad

81. Rugar

82. Barii Sulphas

83. Prepcat

84. Baryx Colloidal

85. Barium Andreu

86. Eneset

87. Gastropaque-s

88. Hitone

89. Liquid Polibar

90. Radimix Colon

91. Baritogen Deluxe

92. Baryta White

93. Mikabarium B

94. Mikabarium F

95. Recto Barium

96. Barosperse Ii

97. Micropaque Rd

98. Radio-baryx

99. Sparkle Granules

100. Umbrasol A

101. Artificial Barite

102. Baritop P

103. Barium Sulfuricum

104. Redi-flow

105. Bar-test

106. Gel-unix

107. Liquid Barosperse

108. Unit-pak

109. Mixture Iii

110. Baritop G Powder

111. E-z Preparations

112. Esopho-cat

113. Ultra-r

114. Veri-o-pake

115. X-opac

116. Barosperse 110

117. Sol-o-pake

118. Tomocat Concentrate

119. Barytes 22

120. Epi-c

121. Liquid Polibar Plus

122. Liquid Sol-o-pake

123. Artificial Heavy Spar

124. Baritop 100

125. Baryum (sulfate De)

126. E-z-cat Concentrate

127. Readi-cat 2

128. Barium 100

129. Epi-stat 57

130. Epi-stat 61

131. Bf 10 (sulfate)

132. Barium Sulfate [jan]

133. Caswell No. 071b

134. Ci Pigment White 21

135. Tonojug 2000

136. Barium Sulphate, Natural

137. Barii Sulfas

138. Barium Sulfate (1:1)

139. Barium Sulfate (baso4)

140. Hd 200 Plus

141. E-z-ac

142. E-z-paste Esophageal Cream

143. Esophotrast Esophageal Cream

144. Precipitated Barium Sulphate

145. Tomocat 1000 Concentrate

146. Pigment White 21

147. Barium(2+) Sulfate

148. Hsdb 5041

149. Ba147

150. Hd 85

151. Ss 50

152. Einecs 231-784-4

153. Unii-25bb7eke2e

154. Epa Pesticide Chemical Code 007502

155. Barium Sulfate [usp:jan]

156. Varibar Nectar

157. Ai3-03611

158. Barite Powder

159. Barium- Sulphate

160. C.i. 77120

161. Baricon (tn)

162. Einecs 236-664-5

163. Varibar

164. Barium Sulfate Powder

165. Barium Sulfate, Powder

166. Readi-cat 2 Smoothies

167. Ec 231-784-4

168. Barium Sulfate, Precipitated

169. Barium Sulfate, Puratronic?

170. Barium Sulfate [ii]

171. Barium Sulfate [mi]

172. Barium Sulphate Nanoparticles

173. Barium Sulfate (jp17/usp)

174. Barium Sulfate [hsdb]

175. Barium Sulfate [inci]

176. Barium Sulfate [vandf]

177. Barium Sulfate [mart.]

178. Barium Sulfate [who-dd]

179. Barium Sulfate [who-ip]

180. Chembl2105897

181. Dtxsid0050471

182. Chebi:133326

183. Barium Sulfate Powder, 99% Nano

184. Ci 77120 [inci]

185. Barii Sulfas [who-ip Latin]

186. Barium Sulfate [orange Book]

187. Barium Sulfate [ep Monograph]

188. Akos015902784

189. Barium Sulfate [usp Monograph]

190. Db11150

191. Barium Sulfate Powder, 98% (4-5?m)

192. Barium Sulfate Nanoparticles / Nanopowder

193. Ft-0622575

194. Ft-0697585

195. Readi-cat 2 Component Barium Sulfate

196. Barium Sulfate Component Of Readi-cat 2

197. D02052

198. Q309038

199. Sr-01000944372

200. Sr-01000944372-1

201. 8054-35-1

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	BaO₄S
Molecular Weight	233.39 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	233.856977 g/mol
Monoisotopic Mass	233.856977 g/mol
Topological Polar Surface Area	88.6 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	62.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Drug and Medication Information

4.1 Therapeutic Uses

A compound used as an x-ray contrast medium that occurs in nature as the mineral barite.

National Library of Medicine's Medical Subject Headings online file (MeSH, 2011). Available from, as of November 11, 2010: https://www.nlm.nih.gov/cgi/mesh/2011/MB_cgi?term=Barium%20sulfate

Barium sulfate suspension is indicated for use as a contrast medium in x-ray diagnosis of the gastrointestinal tract. /Included in US product label/

US Natl Inst Health; DailyMed. Current Medication Information for BAROSPERSE (barium sulfate) powder, for suspension (August 2010). Available from, as of November 12, 2010: https://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?id=31506

This drug has not been found by FDA to be safe and effective, and this labeling has not been approved by FDA.

Oral or rectal barium sulfate suspension, in low concentration, is indicated for enhancement of computed tomographic images (CT of the body) to delineate the gastrointestinal tract. /Included in US product labeling/

USP Convention. USPDI - Drug Information for the Health Care Professional. 17th ed. Volume I. Rockville, MD: Convention, Inc., 1997. (Plus Updates)., p. 521

For more Therapeutic Uses (Complete) data for Barium sulfate (18 total), please visit the HSDB record page.

4.2 Drug Warning

/VET/ Unless intestinal tract evacuates itself promptly, large masses of drug can produce an impaction. Peritoneal leakage has been associated with peritonitis, possibly secondary to ... fecal leakage. Use approved grades ... impure forms may be associated with metaplasia at ulcer sites in dogs.

Rossoff, I.S. Handbook of Veterinary Drugs. New York: Springer Publishing Company, 1974., p. 38

Rarely, oral barium sulfate suspensions may cause constipation or intestinal obstruction due to impaction in the colon. Cramping from distention of the intestine by barium sulfate suspensions or diarrhea may also occur. Retention of barium sulfate in the appendix has reportedly caused appendicitis. Barium sulfate fecaliths reported can lead to obstruction, intussusception, ulceration, or even intestinal perforation and may rarely require surgical removal. ... Aspiration of large amt may cause pneumonitis or nodular granulomas of interstitial lung tissues and lymph nodes; asphyxiation and death have occurred in one patient.

McEvoy, G.K. (ed.). American Hospital Formulary Service - Drug Information 1999. Bethesda, MD: American Society of Health-System Pharmacists, Inc. 1999 (Plus Supplements)., p. 2189

Users must be certain that barium sulfate is not contaminated by sol barium salts. A convenient test is to shake up a portion with water and, to the clear supernatant portion, add a small amt of a soln of magnesium sulfate in water. Appearance of a precipitate indicates the presence of a sol barium salt.

Dreisbach, R.H. Handbook of Poisoning. 12th ed. Norwalk, CT: Appleton and Lange, 1987., p. 119

Barium sulfate products are contraindicated in patients with known or suspected obstruction of the colon, known or suspected gastrointestinal tract perforation, suspected tracheoesophageal fistula, obstructing lesions of the small intestine, pyloric stenosis inflammation or neoplastic lesions of the rectum, recent rectal biopsy, or known hypersensitivity to barium sulfate formulations.

For more Drug Warnings (Complete) data for Barium sulfate (49 total), please visit the HSDB record page.

4.3 Drug Indication

Barium sulfate is a radiographic contrast agent indicated for use in computed tomography (CT) of the abdomen to delineate the gastrointestinal (GI) tract in adult and pediatric patients.

FDA Label

5 Pharmacology and Biochemistry

5.1 Pharmacology

Barium sulfate increases the absorption of x-rays as they are passed throughout the body, delineating body structures, in which barium sulfate is localized. This allows for the clear visualization of normal organs/defect in normal anatomy.

5.2 MeSH Pharmacological Classification

Contrast Media

Substances used to allow enhanced visualization of tissues. (See all compounds classified as Contrast Media.)

5.3 FDA Pharmacological Classification

5.3.1 Active Moiety

BARIUM SULFATE

5.3.2 FDA UNII

25BB7EKE2E

5.3.3 Pharmacological Classes

X-Ray Contrast Activity [MoA]; Radiographic Contrast Agent [EPC]

5.4 Absorption, Distribution and Excretion

Absorption

Barium sulfate is not absorbed following oral or rectal administration with a normal gastrointestinal tract. In patients with a normal GI tract, barium sulfate is normally excreted within 24 hr after oral ingestion. Post rectal administration of barium sulfate suspensions, the drug is generally excreted when the enema is released. Some barium may remain in the colon for several weeks, however, and eventually clears, especially in patients with impaired intestinal peristalsis. It is difficult to quantify the uptake of ingested barium because of a number of factors affect its absorption. The presence of sulfate in food can cause the precipitation of barium sulfate. The following is the approximate time to peak opacification of organs by barium sulfate in a healthy GI tract: Esophagus, stomach, and duodenum uptake of barium sulfate occurs almost immediately after oral administration. Small intestine uptake is dependent on gastric emptying rate and viscosity of the preparation; it may be delayed 15-90 minutes post ingestion. Small intestine (enteroclysis studies) uptake is immediate, following direct instillation. Colon and distal small intestine uptake are dependent on patient positioning. Hydrostatic pressure also determines the rate and degree of opacification.

Route of Elimination

Barium sulfate is excreted unchanged in the feces.

Clearance

The rate of excretion of barium sulfate is dependent on the route of administration and the status of peristaltic activity and motility of the gastrointestinal tract.

/In female beagle dog,/ (131)barium sulfate was found to be cleared from lung, with a biological half-time of 8-9 days ... . This indicated some solubility ... In body fluids, possibly in colloidal form. ... Barium sulfate ... Clearance rate /depends/ on specific surface area of inhaled particles and was lower for heat treated than for untreated particles.

Friberg, L., Nordberg, G.F., Kessler, E. and Vouk, V.B. (eds). Handbook of the Toxicology of Metals. 2nd ed. Vols I, II.: Amsterdam: Elsevier Science Publishers B.V., 1986., p. V2 87

In an extensive study, temperature and pulse rate measurements were taken as an indication of an acute inflammatory response for 291 humans administered a single unstated dose of a 50% w/v barium sulfate suspension for bronchographic purposes. The method of administration was unstated, but the suspension was presumed to have been instilled into the trachea and then blown into the lungs. In 154 patients, there was radiological evidence of the presence of barium sulfate in the bronchial tree at the time of the last available X-ray (various time points ranging from < 1 week to > 1 year after administration); in 135 patients, on the other hand, there was no radiological evidence of residual barium sulfate in the lungs 1 year after bronchography. Forty-one of these patients exhibited complete elimination of the barium sulfate from the lungs within 1 week; it was stated that in some of these patients, this clearance occurred within 24 hr.

International Programme on Chemical Safety; Concise International Chemical Assessment Document Number 33: Barium and Barium Compounds (2001). Available from, as of August 5, 2010: https://www.inchem.org/pages/cicads.html

After inhalation exposure of rats to a BaSO4 aerosol at 40 mg/cu m, 5 hr daily for 2 months, lymphatic transport was slight. The skeletal concentration of Ba was 0.8-1.5 mg/g dry substance (10-100 times the pulmonary concentration). Skeletal uptake decreased somewhat with advancing age.

Norderg, G.F. et al; Handbook on the Toxicology of Metals 3rd ed. Academic Press, Burlington, MA. 2007, p. 410

Of BaSO4 injected intratracheally, about 5% of the initial dose was recovered in the urine during the first 10 days after administration.

Norderg, G.F. et al; Handbook on the Toxicology of Metals 3rd ed. Academic Press, Burlington, MA. 2007, p. 410

For more Absorption, Distribution and Excretion (Complete) data for Barium sulfate (11 total), please visit the HSDB record page.

5.5 Metabolism/Metabolites

Barium sulfate is poorly water soluble and shows negligible levels of absorption from the gastrointestinal tract following both oral or rectal administration. In healthy subjects, orally administered barium sulfate is generally excreted within 24 hours. Rectally administered barium sulfate is eliminated with clearance of the enema.

The in vivo solubility in rats of barium chloride, barium carbonate, barium sulfate, and barium fused in clay /was studied/. The chloride and the carbonate disappeared rapidly from the injection site. The sulfate dissolved more slowly; a half-life of 26 days was calculated. The fused clay was largely retained, the half-life being calculated as 1390 days.

American Conference of Governmental Industrial Hygienists. Documentation of the TLV's and BEI's with Other World Wide Occupational Exposure Values. CD-ROM Cincinnati, OH 45240-4148 2010.

5.6 Biological Half-Life

... In rats barium sulfate disappeared from the injection site with a half-life of 26 days ...

WHO; Environ Health Criteria 107: Barium (1990). Available from, as of August 3, 2010: https://www.inchem.org/pages/ehc.html

In Syrian hamsters, barium sulfate was found to be cleared from the lungs with a biological half-life of 8-9 days ...

WHO; Environ Health Criteria 107: Barium (1990). Available from, as of August 3, 2010: https://www.inchem.org/pages/ehc.html

(131)BaSO4 was found to be cleared from the lungs, with a biological half-life time of 8-9 days, through absorption into the general circulation with subsequent urinary clearance.

Norderg, G.F. et al; Handbook on the Toxicology of Metals 3rd ed. Academic Press, Burlington, MA. 2007, p. 409

Measurements of the clearance of tracer levels of (131)barium sulfate (estimated maximum initial burden of 90 ug or 0.09 mg/kg from a 30 to 90 minute exposure) from the respiratory tract of female beagle dogs (10 + or - 1 kg) were performed. The biological half-life was eight days.

USEPA; Drinking Water Criteria Document for Barium (Draft) p.III-8 (1985) TR-540-60F

/Barium/ sulfate ... /has a calculated/ half-life of 26 days /in rats/.

American Conference of Governmental Industrial Hygienists. Documentation of the TLV's and BEI's with Other World Wide Occupational Exposure Values. CD-ROM Cincinnati, OH 45240-4148 2010.

5.7 Mechanism of Action

Barium sulfate is a heavy metal with a high atomic number (Z=56) and a K shell binding energy (K-edge of 37.4 keV) very close to that of most diagnostic x-ray beams. Due to these characteristics, barium is an ideal medium for the absorption of x-rays. Barium sulfate is essentially not absorbed from the GI tract nor metabolized in the body. Barium sulfate is used to fill the gastrointestinal tract lumen or to coat the mucosal surface and is administered orally, rectally, or instilled into an enterostomy tube or catheter,. Barium sulfate enhances delineation of the GI tract. The barium suspension covers the mucosal surface of the GI tract, allowing its shape, distensibility, motion, integrity, continuity, location within the torso, relationship to other organs to be closely examined. Various abnormalities, such as benign or malignant tumors, ulcers, strictures, diverticula, inflammation or infection, altered motility, displacement and other pathology can thereby be identified,. At lower concentrations (higher dilution), barium enhances the conspicuity of the GI tract to differentiate the GI tract from various abdominal organs in computed tomography examinations (CT scans) of the abdomen. Improved delineation of the gastrointestinal tract lumen and mucosa may be reached by contrast provided by gas (by the addition of bicarbonate or gas-filled balloons) in addition to the barium. This is known as a _double-contrast procedure_. Osmotically active agents (for example, sorbitol) are also used to induce fluid accumulation and distension of the GI system to enhance visualization.

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