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    Technical details about DSSTox_CID_3661, learn more about the structure, uses, toxicity, action, side effects and more

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    DSSTox_CID_3661

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    MARKET PLACE

    ANALYTICAL SOLUTION(s)

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    Also known as: 50-89-5, Deoxythymidine, 2'-deoxythymidine, Thymidin, 5-methyldeoxyuridine, Beta-thymidine
    Molecular Formula
    C10H14N2O5
    Molecular Weight
    242.23  g/mol
    InChI Key
    IQFYYKKMVGJFEH-XLPZGREQSA-N
    FDA UNII
    VC2W18DGKR
    A nucleoside in which THYMINE is linked to DEOXYRIBOSE.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
    2.1.2 InChI
    InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
    2.1.3 InChI Key
    IQFYYKKMVGJFEH-XLPZGREQSA-N
    2.1.4 Canonical SMILES
    CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
    2.1.5 Isomeric SMILES
    CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
    2.2 Other Identifiers
    2.2.1 UNII
    VC2W18DGKR
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2' Deoxythymidine

    2. 2'-deoxythymidine

    3. Deoxythymidine

    2.3.2 Depositor-Supplied Synonyms

    1. 50-89-5

    2. Deoxythymidine

    3. 2'-deoxythymidine

    4. Thymidin

    5. 5-methyldeoxyuridine

    6. Beta-thymidine

    7. Dthyd

    8. Thymine-2-desoxyriboside

    9. 5-methyldeoxyurindine

    10. 5-methyl-2'-deoxyuridine

    11. Deoxyribothymidine

    12. Thymine-2-deoxyriboside

    13. Thyminedeoxyriboside

    14. Thymine Deoxyriboside

    15. Dthd

    16. 2'-thymidine

    17. Uridine, 2'-deoxy-5-methyl-

    18. Dt

    19. Zidovudine Related Compound D

    20. Doxribtimine

    21. Thymine 2'-deoxyriboside

    22. 2'-deoxy-5-methyluridine

    23. Ai3-52267

    24. Beta-d-ribofuranoside, Thymine-1 2-deoxy-

    25. 157049-39-3

    26. Nsc 21548

    27. 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

    28. Chebi:17748

    29. Thymine 2-desoxyriboside

    30. Vc2w18dgkr

    31. 1-(2-deoxy-beta-d-erythro-pentofuranosyl)-5-methyl-2,4(1h,3h)-pyrimidinedione

    32. 2,4(1h,3h)-pyrimidinedione, 1-(2-deoxy-beta-d-erythro-pentofuranosyl)-5-methyl-

    33. 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

    34. 1-((2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1h,3h)-dione

    35. Nsc-21548

    36. [3h]-thymidine

    37. Ncgc00142484-03

    38. Mfcd00006537

    39. Alpha-tritiated Thymidine

    40. 146183-25-7

    41. 157049-40-6

    42. Thm

    43. 1-(2-deoxy-.beta.-d-ribofuranosyl)-5-methyluracil

    44. 1-(2-deoxy-beta-d-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione

    45. 1-(2-deoxy-beta-d-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione (thymidine)

    46. 1-((2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydro-furan-2-yl)-5-methylpyrimidine-2,4(1h,3h)-dione

    47. Ccris 1283

    48. Einecs 200-070-4

    49. Unii-vc2w18dgkr

    50. Deoxyribosylthymine

    51. 4qsv

    52. Thymidinedeoxyriboside

    53. 1w2g

    54. Thymidine, >=99%

    55. Bdbm1

    56. Thymidine [mi]

    57. Thymidine [inci]

    58. Thymidine (8ci,9ci)

    59. Dsstox_cid_3661

    60. Doxribtimine [inn]

    61. Bmse000244

    62. Epitope Id:138113

    63. Thymidine [mart.]

    64. Ec 200-070-4

    65. Thymidine [who-dd]

    66. Thymidine [who-ip]

    67. 2'-deoxy-5-methyl-uridine

    68. Dsstox_rid_77133

    69. Dsstox_gsid_23661

    70. Schembl19894

    71. 50-88-4

    72. 2'-dt

    73. Chembl52609

    74. Gtpl4718

    75. Dtxsid5023661

    76. Zidovudine Related Compound D Rs

    77. Zinc25672

    78. Act03217

    79. Hy-n1150

    80. Str05630

    81. Thymidine, >=99.0% (hplc)

    82. Tox21_111560

    83. Hg1139

    84. S4803

    85. Akos015895360

    86. Stavudine Impurity C [who-ip]

    87. Thymine-1 2-deoxy-b-d-ribofuranoside

    88. Ac-1475

    89. Am83949

    90. Ccg-266886

    91. Cs-w019644

    92. Db04485

    93. Cas-50-89-5

    94. Deoxythymidine; 2'-deoxythymidine

    95. Ncgc00142484-01

    96. 1-[(4s,2r,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-dihydropyri Midine-2,4-dione

    97. Stavudine Impurity C [ep Impurity]

    98. Thymidine, Vetec(tm) Reagent Grade, 99%

    99. Db-030432

    100. Zidovudine Impurity E [ep Impurity]

    101. T0233

    102. Thymine-1 2-deoxy-beta-delta-ribofuranoside

    103. 1-(2-deoxy-a-d-ribofuranosyl)-5-methyluracil

    104. 1-(2-deoxy-beta-ribofuranosyl)-5-methyluracil

    105. C00214

    106. Zidovudine Related Compound D [usp-rs]

    107. A828337

    108. Q422464

    109. Sr-01000883981

    110. (1-[2-deoxy-beta-d-ribofuranosyl]-5-methyluracil)

    111. J-700251

    112. Sr-01000883981-1

    113. Zidovudine Related Compound D [usp Impurity]

    114. Brd-k28309349-001-02-4

    115. Q27124084

    116. D7e43a69-265b-4daa-bc8f-193fb357140f

    117. Thymidine, Powder, Bioreagent, Suitable For Cell Culture

    118. 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

    119. 1-(2-deoxy-.beta.-d-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione

    120. 1-(2-deoxy-b-d-erythro-pentofuranosyl)-5-methyl-2,4(1h,3h)-pyrimidinedione

    121. 1-(2-deoxy-beta-delta-erythro-pentofuranosyl)-5-methyl-2,4(1h,3h)-pyrimidinedione

    122. 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

    123. Zidovudine Related Compound D, United States Pharmacopeia (usp) Reference Standard

    124. 1-(2-deoxy-.beta.-d-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione [who-ip]

    125. 1-(2-deoxy-beta-d-ribofuranosyl)-5-methyluracil; 1-(2-deoxy-beta-d-ribofuranosyl)thymine; Thymine Deoxyriboside; 2'-deoxythymidine; 5-methyldeoxyuridine

    126. 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

    127. 1211376-53-2

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 242.23 g/mol
    Molecular Formula C10H14N2O5
    XLogP3-1.2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass242.09027155 g/mol
    Monoisotopic Mass242.09027155 g/mol
    Topological Polar Surface Area99.1 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity381
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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