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    Technical details about MolPort-001-783-159, learn more about the structure, uses, toxicity, action, side effects and more

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    MolPort-001-783-159

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: 4-methylbenzenesulfonic acid, 104-15-4, 4-toluenesulfonic acid, P-toluenesulphonic acid, Toluene-4-sulfonic acid, Tosic acid
    Molecular Formula
    C7H8O3S
    Molecular Weight
    172.20  g/mol
    InChI Key
    JOXIMZWYDAKGHI-UHFFFAOYSA-N
    FDA UNII
    QGV5ZG5741
    P-Toluenesulfonic acid is a metabolite found in the aging mouse brain.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-methylbenzenesulfonic acid
    2.1.2 InChI
    InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
    2.1.3 InChI Key
    JOXIMZWYDAKGHI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC=C(C=C1)S(=O)(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    QGV5ZG5741
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 4-methylbenzenesulfonic Acid

    2. 104-15-4

    3. 4-toluenesulfonic Acid

    4. P-toluenesulphonic Acid

    5. Toluene-4-sulfonic Acid

    6. Tosic Acid

    7. P-tolylsulfonic Acid

    8. Tosylic Acid

    9. Toluenesulfonic Acid

    10. Benzenesulfonic Acid, 4-methyl-

    11. P-methylbenzenesulfonic Acid

    12. P-methylphenylsulfonic Acid

    13. P-toluenesulfonate

    14. Eltesol

    15. P-toluene Sulfonate

    16. Methylbenzenesulfonic Acid

    17. Para-toluene Sulfonate

    18. Ptsa

    19. Cyclophil P T S A

    20. Ar-toluenesulfonic Acid

    21. P-toluolenesulfonic Acid

    22. P-toluene Sulfonic Acid

    23. Toluene-4-sulphonic Acid

    24. Toluene Sulfonic Acid

    25. Nacure 1040

    26. Benzenesulfonic Acid, Methyl-

    27. Cyzac 4040

    28. Kyselina P-toluenesulfonova

    29. Manro Ptsa 65 E

    30. Manro Ptsa 65 H

    31. Tsa-hp

    32. Tsa-mh

    33. Manro Ptsa 65 Ls

    34. Kyselina P-toluensulfonova

    35. Toluene-p-sulfonate

    36. K-cure 1040

    37. Toluenesulfonic Acid (van)

    38. Toluen-4-sulfonsaeure

    39. P-toluene Sulphonic Acid

    40. Para-toluenesulfonic Acid

    41. Hsdb 2026

    42. Nsc 167068

    43. P-toluensulfonic Acid

    44. 2(or 4)-toluenesulphonic Acid

    45. Toluene-p-sulfonic Acid

    46. P-toluene-sulfonic Acid

    47. Para-toluenesulphonic Acid

    48. Paratoluene Sulphonic Acid

    49. Para Toluene Sulfonic Acid

    50. 4-toluene Sulfonic Acid

    51. Chembl541253

    52. Qgv5zg5741

    53. 4-toluene-sulfonic Acid

    54. 4-methylbenzene-1-sulfonic Acid

    55. Chebi:27849

    56. Nsc-2167

    57. Nsc-167068

    58. Tsoh

    59. Wln: Wsqr D1

    60. P-tsa

    61. K-cure 040

    62. Tsu

    63. Kyselina P-toluensulfonova [czech]

    64. Kyselina P-toluenesulfonova [czech]

    65. Einecs 203-180-0

    66. Brn 0472690

    67. Unii-qgv5zg5741

    68. Tosicacid

    69. 4-sulphotoluene

    70. Ai3-26478

    71. Eltesol Tsx

    72. Ptsoh

    73. Tosoh

    74. Tosic Acid P-tsa

    75. P-toluenesulfonicacid

    76. P-toluene Sulfonic Acid(monohydrate)

    77. P-tsoh

    78. Tos-oh

    79. P-toluenesufonic Acid

    80. 4-toluenesulfonicacid

    81. P-toluene Sulfonicacid

    82. P-toluene-sulfonicacid

    83. P-toluensulphonic Acid

    84. Paratoluensulfonic Acid

    85. Ts-oh

    86. P-toluen Sulfonic Acid

    87. P-toluenesuiphonic Acid

    88. P-toluenylsulfonic Acid

    89. Paratoluenesulfonic Acid

    90. Pts Acid

    91. 4-toluenesulphonic Acid

    92. P -toluenesulfonic Acid

    93. P- Toluenesulfonic Acid

    94. P-tolu-enesulfonic Acid

    95. P-toluyl Sulphonic Acid

    96. Toluene P-sulfonic Acid

    97. Para-toluensulfonic Acid

    98. Rho-toluenesulfonic Acid

    99. Paratoluenesulphonic Acid

    100. P-toluene-sulphonic Acid

    101. Toluene 4-sulfonic Acid

    102. Toluene P-sulphonic Acid

    103. Toluene-p-sulphonic Acid

    104. Para Toluenesulfonic Acid

    105. Paratoluene Sulfonic Acid

    106. Paratoluene-sulfonic Acid

    107. Schembl34

    108. 4-toluene Sulphonic Acid

    109. 4-toluene-sulphonic Acid

    110. Rho-toluene Sulfonic Acid

    111. Para Toluenesulphonic Acid

    112. Para-toluene Sulfonic Acid

    113. Para-toluene-sulfonic Acid

    114. 4methylbenzenesulfonic Acid

    115. Dsstox_cid_6701

    116. 4-methylphenylsulfonic Acid

    117. Activator-100t3

    118. Para Toluene Sulphonic Acid

    119. Para-toluene Sulphonic Acid

    120. Taycatox-300

    121. Ec 203-180-0

    122. 4-methylphenylsulphonic Acid

    123. Dsstox_rid_78188

    124. Nciopen2_002932

    125. Nciopen2_003096

    126. 4-methylbenzenesulphonic Acid

    127. Dsstox_gsid_26701

    128. 4-methyl-benzenesulfonic Acid

    129. 4-methylbenzene Sulfonic Acid

    130. 4-methylbenzene-sulfonic Acid

    131. 25231-46-3

    132. 4-11-00-00241 (beilstein Handbook Reference)

    133. 70788-37-3

    134. Dryer-900

    135. Nacure-1040

    136. 4-methyl Benzene Sulfonic Acid

    137. Ar-toluenesulfonic Acid (8ci)

    138. Cyzac-4040

    139. Tsa-95

    140. 4-methyl-benzene Sulphonic Acid

    141. 4-methyl-benzene-sulphonic Acid

    142. Dtxsid0026701

    143. Nsc2167

    144. Pts-100

    145. 4-toluenesulfinic Acid Sodium Salt

    146. Ad-3302w

    147. P-toluenesulfonic Acid [mi]

    148. Zinc6427042

    149. Tox21_202364

    150. Ac-794

    151. Bdbm50294029

    152. Mfcd00064387

    153. Mfcd02683442

    154. Nsc167068

    155. Stl199173

    156. Toluene Sulfonic Acid [inci]

    157. Akos008966288

    158. Am90497

    159. At27303

    160. Cs-w019626

    161. Db03120

    162. Kc-1040

    163. Ncgc00248146-01

    164. Ncgc00248146-02

    165. Ncgc00248146-03

    166. Ncgc00259913-01

    167. As-82150

    168. Bp-31081

    169. Cas-104-15-4

    170. Para-toluenesulfonic Acid-polymer Supported

    171. Db-050363

    172. Lisinopril Impurity B [ep Impurity]

    173. Anastrozole Impurity F [ep Impurity]

    174. C-250

    175. Ft-0648905

    176. P-toluenesulfonic Acid [ep Impurity]

    177. T0267

    178. En300-16830

    179. Sultamicillin Impurity B [ep Impurity]

    180. C06677

    181. 273t276

    182. A800907

    183. Ae-848/00887005

    184. Q285878

    185. Sr-01000944854

    186. J-001117

    187. Q-200514

    188. Sr-01000944854-1

    189. Toluene Sulfonic Acid (inci) 4-toluenesulfonic Acid

    190. F1908-0079

    191. Tizanidine Hydrochloride Impurity I [ep Impurity]

    192. P-toluenesulfonic Acid, Polymer-supported, 1.0-2.0 Mmol/g On Polystyrene

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 172.20 g/mol
    Molecular Formula C7H8O3S
    XLogP31.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass172.01941529 g/mol
    Monoisotopic Mass172.01941529 g/mol
    Topological Polar Surface Area62.8 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity206
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Therapeutic Uses

    EXPTL USE: IT WAS EFFECTIVE AGAINST CHRONIC MYELOGENOUS LEUKEMIA IN HUMANS AND HAD LITTLE TOXIC EFFECTS ON BONE MARROW.

    HIRANO M; 864-T(P-TOLUENESULFONATE); GAN TO KAGAKU RYOHO 6 (1): 183 (1979)

    5 Pharmacology and Biochemistry
    5.1 Absorption, Distribution and Excretion

    PROBABLY EXCRETED AS P-TOLUENESULFONIC ACID. /FROM TABLE/

    Patty, F. (ed.). Industrial Hygiene and Toxicology: Volume II: Toxicology. 2nd ed. New York: Interscience Publishers, 1963., p. 1841

    FOLLOWING ORAL OR IP ADMIN, P-TOLUENESULFONATE WAS EVENLY DISTRIBUTED IN TISSUES, EXCEPT IN BRAIN & FAT TISSUES.

    HIRAMO M; GAN TO KAGAKU RYOHO 6 (1): 183 (1979)

    5.2 Metabolism/Metabolites

    YIELDS 3-METHYLCATECHOL IN PSEUDOMONAS: FOCHT, DD & WILLIAMS, FD, CAN J MICROBIOL, 16, 309 (1970); YIELDS 4-METHYLCATECHOL IN PSEUDOMONAS: CAIN, RB & FARR, DR, BIOCHEM J. 106, 859 (1968). /FROM TABLE/

    Goodwin, B.L. Handbook of Intermediary Metabolism of Aromatic Compounds. New York: Wiley, 1976., p. T-17

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