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    Hymecromone

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    $ API Ref.Price (USD/KG) : 176Xls

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    2D Structure
    Also known as: 4-methylumbelliferone, 90-33-5, 7-hydroxy-4-methylcoumarin, 7-hydroxy-4-methyl-2h-chromen-2-one, Imecromone, Beta-methylumbelliferone
    Molecular Formula
    C10H8O3
    Molecular Weight
    176.17  g/mol
    InChI Key
    HSHNITRMYYLLCV-UHFFFAOYSA-N
    FDA UNII
    3T5NG4Q468
    A coumarin derivative possessing properties as a spasmolytic, choleretic and light-protective agent. It is also used in ANALYTICAL CHEMISTRY TECHNIQUES for the determination of NITRIC ACID.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-hydroxy-4-methylchromen-2-one
    2.1.2 InChI
    InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
    2.1.3 InChI Key
    HSHNITRMYYLLCV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=O)OC2=C1C=CC(=C2)O
    2.2 Other Identifiers
    2.2.1 UNII
    3T5NG4Q468
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4 Methylumbelliferone

    2. 4-methylumbelliferone

    3. 7 Hydroxy 4 Methyl Coumarin

    4. 7-hydroxy-4-methyl-coumarin

    5. Cholestil

    6. Imecromone

    7. Mendiaxon

    8. Methylumbelliferone

    9. Resocyanine

    2.3.2 Depositor-Supplied Synonyms

    1. 4-methylumbelliferone

    2. 90-33-5

    3. 7-hydroxy-4-methylcoumarin

    4. 7-hydroxy-4-methyl-2h-chromen-2-one

    5. Imecromone

    6. Beta-methylumbelliferone

    7. Cantabiline

    8. Cholestil

    9. Mendiaxon

    10. 4-methyl-7-hydroxycoumarin

    11. Bilcolic

    12. Bilicante

    13. Cantabilin

    14. 4-mu

    15. Coumarin 4

    16. Cholonerton

    17. Hymecromon

    18. Crodimon

    19. Eurogale

    20. Medilla

    21. Cumarote-c

    22. Omega 127

    23. Pilot 447

    24. 2h-1-benzopyran-2-one, 7-hydroxy-4-methyl-

    25. 4-methylumbelliferon

    26. Himecromona

    27. Hymecromonum

    28. 7-hydroxy-4-methyl-2h-1-benzopyran-2-one

    29. Nsc 9408

    30. Nsc 19026

    31. 7-hydroxy-4-methyl-2-oxo-2h-1-benzopyran

    32. 7-hydroxy-4-methylchromen-2-one

    33. Lm 94

    34. Coumarin, 7-hydroxy-4-methyl-

    35. Lm-94

    36. 7-hydroxy-4-methyl-chromen-2-one

    37. Mfcd00006866

    38. 7-hydroxy-4-methyl-coumarin

    39. 2h-1-benzopyran, 7-hydroxy-4-methyl-2-oxo-

    40. 2h-1-benzopyren-2-one, 7-hydroxy-4-methyl-

    41. 7-hydroxy-4-methyl-2-oxo-3-chromene

    42. 4-methylumbelliferone (4-mu)

    43. Nsc9408

    44. Nsc-9408

    45. Nsc19026

    46. Nsc-19026

    47. .beta.-methylumbelliferone

    48. 7-hydroxy-4-methyl Coumarin

    49. 4-methyl-7-hydroxy-coumarin

    50. Chembl12208

    51. Resocyanine

    52. 2h-1-benzopyran-2-one,7-hydroxy-4-methyl-

    53. Chebi:17224

    54. 3t5ng4q468

    55. Cas-90-33-5

    56. Ncgc00016345-01

    57. Dsstox_cid_5670

    58. Dsstox_rid_77877

    59. Dsstox_gsid_25670

    60. Imecromone [dcit]

    61. Methylumbelliferone, Beta

    62. Wln: T66 Bovj E1 Iq

    63. Cholspasmin

    64. Hymechrome

    65. Hymecromonum [inn-latin]

    66. Himecromona [inn-spanish]

    67. Smr000471886

    68. 4-methylumbelliferon [czech]

    69. 4 Methylumbelliferone

    70. Ccris 5926

    71. Einecs 201-986-7

    72. Brn 0142217

    73. Himecol

    74. Unii-3t5ng4q468

    75. Ai3-08085

    76. Biliton H

    77. Hymecromohe,(s)

    78. Cantabiline (tn)

    79. 4mu

    80. Hymecromone [usan:inn:ban:jan]

    81. Zz1

    82. A-methylumbelliferone

    83. 4-methyl Umbelliferone

    84. 4-methyl-umbelliferone

    85. Coumarin Derivative, 3b

    86. Hymecromone [mi]

    87. Maybridge1_002078

    88. Prestwick0_000901

    89. Prestwick1_000901

    90. Prestwick2_000901

    91. Prestwick3_000901

    92. Hymecromone [inn]

    93. Hymecromone [jan]

    94. Umbelliferone, 4-methyl-

    95. Hymecromone [usan]

    96. 7-hydroxy-4-methlcoumarin

    97. Methylumbelliferone, .beta.

    98. 4-methyl-7-hydroxy-cumarin

    99. 7-hydroxy-4-methyl-coumari

    100. Hymecromone [mart.]

    101. Schembl24150

    102. Bspbio_000742

    103. Hymecromone [who-dd]

    104. 5-18-01-00439 (beilstein Handbook Reference)

    105. 7-hydroxy-4-methyl Coumarine

    106. Mls001074671

    107. Mls004491718

    108. 4-methyl-7-hydroxyl Coumarin

    109. Spbio_002941

    110. 4-methylumbelliferone - 4-mu

    111. Ambz0098

    112. Bpbio1_000818

    113. Megxp0_001898

    114. 7-hydroxy-4-methyl-2-coumarin

    115. 4-methylumbelliferone, >=98%

    116. Dtxsid8025670

    117. Acon1_002401

    118. Cid_5280567

    119. Hms547g10

    120. Hymecromone (jp17/usan/inn)

    121. Zinc58121

    122. 7-hydroxy-4-methyl-2-chromenone

    123. Hms1570f04

    124. Hms2097f04

    125. Hms2267l19

    126. Hms3264e04

    127. Hms3655l16

    128. Hms3714f04

    129. Hymecromone [ep Monograph]

    130. Pharmakon1600-01506174

    131. Bcp06770

    132. Hy-n0187

    133. Tox21_110385

    134. Tox21_300915

    135. Bbl000531

    136. Bdbm50022178

    137. Ccg-47894

    138. Nsc760397

    139. S2256

    140. Stk364326

    141. 7-hydroxy-4-methyl-2h-2-chromenone

    142. Akos000119370

    143. Tox21_110385_1

    144. 2-hydroxy-4-methyl-7h-chromen-7-one

    145. Am85958

    146. Cs-7560

    147. Db07118

    148. Nsc-760397

    149. Ncgc00016345-02

    150. Ncgc00016345-03

    151. Ncgc00016345-04

    152. Ncgc00016345-05

    153. Ncgc00016345-08

    154. Ncgc00016345-09

    155. Ncgc00169880-01

    156. Ncgc00169880-02

    157. Ncgc00257522-01

    158. 7-hydroxy-4-methyl-2h-chromen-2-one #

    159. 79566-13-5

    160. Ac-22306

    161. As-13247

    162. Nci60_042099

    163. Sy017941

    164. Db-029370

    165. 2-hydroxy-4-methyl-7h-1-benzopyran-7-one

    166. Ab00443536

    167. Ft-0602257

    168. Ft-0658701

    169. Ft-0660634

    170. M0453

    171. Sw197287-3

    172. C03081

    173. D00170

    174. D70647

    175. M-5410

    176. 7-hydroxy-4-methylcoumarin

    177. 4-methylumbelliferone

    178. Ab00443536_08

    179. A843515

    180. Q904431

    181. Sr-01000637483

    182. Sr-01000637483-1

    183. Sr-01000637483-3

    184. Brd-k46424862-001-02-6

    185. Brd-k46424862-001-04-2

    186. F0849-0318

    187. F1918-0038

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 176.17 g/mol
    Molecular Formula C10H8O3
    XLogP31.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass176.047344113 g/mol
    Monoisotopic Mass176.047344113 g/mol
    Topological Polar Surface Area46.5 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity257
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    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.)

    4.2 ATC Code

    A - Alimentary tract and metabolism

    A05 - Bile and liver therapy

    A05A - Bile therapy

    A05AX - Other drugs for bile therapy

    A05AX02 - Hymecromone

    4.3 Metabolism/Metabolites

    4-Methylumbelliferone has known human metabolites that include 4-Methylumbelliferone O-glucuronide.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560