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MolPort-001-783-927

MolPort-001-783-927

Synopsis, Chemistry

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Also known as: Phenolsulfonphthalein, 143-74-8, Fenolipuna, Sulfonphthal, Sulphental, Sulphonthal

Molecular Formula

C₁₉H₁₄O₅S

Molecular Weight

354.4 g/mol

InChI Key

BELBBZDIHDAJOR-UHFFFAOYSA-N

FDA UNII

I6G9Y0J1OJ

Red dye, pH indicator, and diagnostic aid for determination of renal function. It is used also for studies of the gastrointestinal and other systems.

1 2D Structure

MolPort-001-783-927

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[3-(4-hydroxyphenyl)-1,1-dioxo-2,16-benzoxathiol-3-yl]phenol

2.1.2 InChI

InChI=1S/C19H14O5S/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19/h1-12,20-21H

2.1.3 InChI Key

BELBBZDIHDAJOR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

2.2 Other Identifiers

2.2.1 UNII

I6G9Y0J1OJ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Phenolsulfonphthalein

2. Sulfonphthal

3. Sulphental

4. Sulphonthal

2.3.2 Depositor-Supplied Synonyms

1. Phenolsulfonphthalein

2. 143-74-8

3. Fenolipuna

4. Sulfonphthal

5. Sulphental

6. Sulphonthal

7. Phenolsulphonphthalein

8. Psp (indicator)

9. Phenolsulfonephthalein

10. Phenolred

11. Phenol, 4,4'-(1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene)bis-

12. 3,3-bis(4-hydroxyphenyl)-3h-benzo[c][1,2]oxathiole 1,1-dioxide

13. Nsc10459

14. Phenosulfophthalein

15. Mfcd00003552

16. Nsc 10459

17. Nsc-10459

18. Psp

19. I6g9y0j1oj

20. 4,4'-(3h-2,1-benzoxathiol-3-ylidene)diphenol S,s-dioxide

21. 4,4'-(1,1-dioxido-3h-2,1-benzoxathiole-3,3-diyl)diphenol

22. Chebi:31991

23. 3h-2,1-benzoxathiole, 3,3-bis(4-hydroxyphenyl)-, 1,1-dioxide

24. Phenol, 4,4-(3h-2,1-benzoxathiol-3-ylidene)di-, S-s-dioxide

25. 4-[3-(4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol

26. P. S. P.

27. Ncgc00013109-03

28. Phenol, 4,4'-(3h-2,1-benzoxathiol-3-ylidene)di-, S,s-dioxide

29. Dsstox_cid_2408

30. Phenol, 4,4'-(3h-2,1-benzoxathiol-3-ylidene)bis-, (s,s-dioxide)

31. Dsstox_rid_76578

32. Dsstox_gsid_22408

33. Phenol-red

34. Phenolsulfonephthalein Sodium Salt

35. Cas-143-74-8

36. Einecs 205-609-7

37. Unii-i6g9y0j1oj

38. Brn 0326470

39. Phenolsulfonphthalein [jan:nf]

40. Phenol Red, Psp

41. Phenol Red Solution

42. Phenol Red Indicator

43. Phenol Red Acs Grade

44. Phenol Red, Free Acid

45. Phenol, 4,4'-(3h-2,1-benzoxathiol-3-ylidene)bis-, S,s-dioxide

46. Phenol Red, Acs Reagent

47. Phenol Red, Recrystallized

48. Phenolsulfonphthalein (tn)

49. Ncistruc1_001090

50. Ncistruc2_000839

51. Schembl17836

52. 5-19-03-00457 (beilstein Handbook Reference)

53. Bidd:er0046

54. Chembl258921

55. Phenol Red, Jis Special Grade

56. Dtxsid8022408

57. Phenol Red, P.a., Acs Reagent

58. Phenolsulfonphthalein (jp17/nf)

59. Phenolsulfonphthalein [mi]

60. 3,3-bis(4-hydroxyphenyl)benzo[c]1,2-oxathiolene-1,1-dione

61. 3,3-bis(p-hydroxyphenyl)-3h-2,1-benzoxathiole 1,1-dioxide

62. Phenolsulfonphthalein [jan]

63. Amy22406

64. Hy-d0169

65. Nci10459

66. Phenolsulfonphthalein [inci]

67. Zinc3860918

68. Phenolsulfonphthalein [vandf]

69. Tox21_110012

70. Tox21_303570

71. Bbl000596

72. Ccg-36909

73. Ncgc00013109

74. Phenol Red Solution, Ph 6.8-8.4

75. Phenolsulfonphthalein [mart.]

76. Stk364540

77. Phenolsulfonphthalein [who-dd]

78. 4-[3-(4-hydroxyphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenol

79. Akos000592531

80. Tox21_110012_1

81. Db13212

82. Ncgc00013109-01

83. Ncgc00013109-02

84. Ncgc00096230-01

85. Ncgc00257424-01

86. Ac-18338

87. Nci60_000111

88. Vs-00652

89. Db-042702

90. Phenolsulfonphthalein [ep Monograph]

91. Cs-0010076

92. Ft-0631835

93. P0100

94. P0101

95. P0703

96. D01200

97. D70382

98. P-2800

99. P-2801

100. Phenol Red Solution 0.5%, Cell Culture Tested

101. Ab00444024_03

102. A884896

103. Q418719

104. Sr-01000357546

105. 3h-2, 3,3-bis(4-hydroxyphenyl)-, 1,1-dioxide

106. Sr-01000357546-1

107. Brd-k79892937-001-01-7

108. Phenol Red, Powder, Bioreagent, Suitable For Cell Culture

109. 3,3-bis(4-hydroxyphenyl)-3h-2,1??-benzoxathiole-1,1-dione

110. 4,4'-(3h,2,1-benzoxathiol-3-ylidene)bisphenol S,s-dioxide

111. 4,4'-(3h-2,1-benzoxathiol-3-yildene)bisphenol S,s-dioxide

112. 4,4'-(3h-2,1-benzoxathiol-3-ylidene)bisphenol S,s-dioxide

113. Phenol,4'-(3h-2,1-benzoxathiol-3-ylidene)bis-, S,s-dioxide

114. Phenol,4'-(3h-2,1-benzoxathiol-3-ylidene)di-, S,s-dioxide

115. Phenol,4-(3h-2,1-benzoxathiol-3-ylidene)di-, S,s-dioxide

116. Phenol,4-(3h-2,1-benzoxathiol-3-ylidene)di-, S-s-dioxide

117. 3,3-bis(4-hydroxyphenyl)-3h-2,1-benzoxathiole 1,1-dioxide

118. 4,4'-(1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene)bis-phenol Sodium Salt

119. Phenol, 4,4'-(3h-2,1-benzoxathiol-3-ylidene)bis-,s,s-dioxide (9ci)

120. Alpha-hydroxy-alpha,alpha-bis(p-hydroxyphenyl)-o-toluenesulfonic Acid Gamma-sultone

121. Phenol Red Solution, 0.5%, Liquid, Sterile-filtered, Bioreagent, Suitable For Cell Culture

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₄O₅S
Molecular Weight	354.4 g/mol
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	354.05619472 g/mol
Monoisotopic Mass	354.05619472 g/mol
Topological Polar Surface Area	92.2 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	545
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	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Indicators and Reagents

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant and Hackh's Chemical Dictionary, 5th ed, p301, p499) (See all compounds classified as Indicators and Reagents.)

Coloring Agents

Chemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS. (See all compounds classified as Coloring Agents.)

4.2 ATC Code

V - Various

V04 - Diagnostic agents

V04C - Other diagnostic agents

V04CH - Tests for renal function and ureteral injuries

V04CH03 - Phenolsulfonphthalein