MolPort-001-792-126

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Also known as: Phenyl 4-aminosalicylate, 133-11-9, Fenamisal, Phenyl 4-amino-2-hydroxybenzoate, Phenyl pas, Tebamin

Molecular Formula

C₁₃H₁₁NO₃

Molecular Weight

229.23 g/mol

InChI Key

DNVVZWSVACQWJE-UHFFFAOYSA-N

FDA UNII

52936SIP7V

Phenyl Aminosalicylate is the phenyl ester of para-aminosalicylic acid, reported to have less side effects than simple salts of para-aminosalicylic acid.

1 2D Structure

MolPort-001-792-126

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

phenyl 4-amino-2-hydroxybenzoate

2.1.2 InChI

InChI=1S/C13H11NO3/c14-9-6-7-11(12(15)8-9)13(16)17-10-4-2-1-3-5-10/h1-8,15H,14H2

2.1.3 InChI Key

DNVVZWSVACQWJE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)N)O

2.2 Other Identifiers

2.2.1 UNII

52936SIP7V

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-aminosalicylic Acid Phenyl Ester

2. Para-aminosalicylic Acid Phenyl Ester

3. Phenyl 4-aminosalicylate

2.3.2 Depositor-Supplied Synonyms

1. Phenyl 4-aminosalicylate

2. 133-11-9

3. Fenamisal

4. Phenyl 4-amino-2-hydroxybenzoate

5. Phenyl Pas

6. Tebamin

7. Tebanyl

8. P-aminosalol

9. Pheny-pas-tebamin

10. Phenyl-4-aminosalicylate

11. Tebamyn

12. Tebamin-leo

13. Phenyl-pas-tebamin

14. Phenyl P-aminosalicylate

15. Fr 7

16. Fenamisalum

17. P-aminosalicylic Acid, Phenyl Ester

18. Fenamisal [inn]

19. Phenyl Aminosalicylate [usan]

20. Nsc-40144

21. Benzoic Acid, 4-amino-2-hydroxy-, Phenyl Ester

22. Salicylic Acid, 4-amino-, Phenyl Ester

23. 52936sip7v

24. Fenamisal (inn)

25. Nsc40144

26. Fenamisal; Nsc 40144; Pas-tebamin

27. Ncgc00095933-01

28. Dsstox_cid_1994

29. Dsstox_rid_76447

30. Dsstox_gsid_21994

31. Phenyl Aminosalicylate (usan)

32. Fenamisalum [inn-latin]

33. Cas-133-11-9

34. Sr-01000363421

35. Einecs 205-092-8

36. Nsc 40144

37. Salicyclic Acid, 4-amino-, Phenyl Ester

38. Unii-52936sip7v

39. 4-amino-2-hydroxybenzoic Acid Phenyl Ester

40. Pas-tebamin

41. Phenyl 4-amino-2-hydroxy-benzoate

42. Phenyl-aminosalicylate

43. Spectrum_001329

44. Specplus_000892

45. Spectrum2_000439

46. Spectrum3_000877

47. Spectrum4_000717

48. Spectrum5_001125

49. Pheny-pas-tebamin (tn)

50. Fenamisal [mart.]

51. Fenamisal [who-dd]

52. Oprea1_625699

53. Bspbio_002553

54. Kbiogr_001273

55. Kbioss_001809

56. Spectrum305025

57. Salicyclic Acid, Phenyl Ester

58. Divk1c_006988

59. Schembl194250

60. Spbio_000458

61. Chembl1200868

62. Dtxsid7021994

63. Kbio1_001932

64. Kbio2_001809

65. Kbio2_004377

66. Kbio2_006945

67. Kbio3_002053

68. Chebi:114203

69. Hms2091c03

70. Pharmakon1600-00305025

71. Zinc119905

72. Phenyl Aminosalicylate [mi]

73. Tox21_111538

74. Ccg-39964

75. Mfcd00007788

76. Nsc755837

77. Para-aminosalicylic Acid Phenyl Ester

78. Stl477797

79. Akos015963404

80. Tox21_111538_1

81. Db06807

82. Nsc-755837

83. Sb80012

84. Ncgc00095933-02

85. Ncgc00095933-04

86. Ac-19340

87. As-66998

88. Sbi-0052877.p003

89. Db-005471

90. Phenyl Aminosalicylate [orange Book]

91. Ft-0631771

92. D05460

93. F19835

94. Ab00053247_02

95. 133p119

96. Sr-01000363421-1

97. Sr-01000363421-2

98. Brd-k73157543-001-02-5

99. Brd-k73157543-001-03-3

100. Q27195393

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₁NO₃
Molecular Weight	229.23 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	229.07389321 g/mol
Monoisotopic Mass	229.07389321 g/mol
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	263
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