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    Aristolochic Acid

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Aristolochic acid a, 313-67-7, Aristolochic acid i, Aristolochin, Tardolyt, Aristolochic acid-i
    Molecular Formula
    C17H11NO7
    Molecular Weight
    341.27  g/mol
    InChI Key
    BBFQZRXNYIEMAW-UHFFFAOYSA-N
    FDA UNII
    94218WFP5T
    birthwort is a natural product found in Thottea duchartrei, Aristolochia, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
    2.1.2 InChI
    InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)
    2.1.3 InChI Key
    BBFQZRXNYIEMAW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    94218WFP5T
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 8-methoxy-6-nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylic Acid

    2. Aristolochic Acid A

    3. Aristolochic Acid I

    4. Aristolochic Acid I, Sodium Salt

    5. Sodium Aristolochate

    6. Tardolyt

    2.3.2 Depositor-Supplied Synonyms

    1. Aristolochic Acid A

    2. 313-67-7

    3. Aristolochic Acid I

    4. Aristolochin

    5. Tardolyt

    6. Aristolochic Acid-i

    7. Aristolochine

    8. Tr 1736

    9. Nsc-50413

    10. 8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic Acid

    11. Nsc11926

    12. 3,4-methylenedioxy-8-methoxy-10-nitro-1-phenanthrenecarboxylic Acid

    13. 8-methoxy-3,4-methylenedioxy-10-nitrophenanthrene-1-carboxylic Acid

    14. Nsc50413

    15. Birthwort

    16. 8-methoxy-6-nitrophenanthol (3,4-d) 1,3-dioxole-5-carboxylic Acid

    17. Chembl93353

    18. Mls002702976

    19. Chebi:2825

    20. Aristolochic Acid I;tr 1736

    21. 94218wfp5t

    22. Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic Acid, 8-methoxy-6-nitro-

    23. Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic Acid, 8-methoxy-6-nitro-

    24. Nsc-11926

    25. 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic Acid

    26. Aristolochiazaeure

    27. 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic Acid

    28. 8-methoxy-6-nitrophenanthrol(3,4-d)-1,3-dioxide-5-carboxylic Acid

    29. Smr001562128

    30. Aristolochic Acid 1

    31. Ccris 1544

    32. Sr-05000002369

    33. Einecs 206-238-3

    34. Nsc 11926

    35. Nsc 50413

    36. Brn 0345159

    37. Aristolochia

    38. Phenanthro[3,3-dioxole-5-carboxylic Acid, 8-methoxy-6-nitro-

    39. Unii-94218wfp5t

    40. Aristolochicacida

    41. Aris-tolochic Acid

    42. Goq

    43. Aristolochic-acid-a

    44. Mfcd00004996

    45. Aristolochia A

    46. Spectrum_001156

    47. Specplus_000448

    48. 8-methoxy-3,4-methylendioxxy-10-nitro-1-phenanthrencarbonsaeure

    49. 8-methoxy-6-nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylic Acid

    50. Spectrum2_000822

    51. Spectrum3_001114

    52. Spectrum4_001952

    53. Spectrum5_000729

    54. Aristolochic Acid A,(s)

    55. Zinc52

    56. Ncimech_000812

    57. Aristolochic Acid I, Powder

    58. Bspbio_001440

    59. Bspbio_002848

    60. Kbiogr_000160

    61. Kbiogr_002387

    62. Kbioss_000160

    63. Kbioss_001636

    64. Mls002695974

    65. Divk1c_006544

    66. Schembl166284

    67. Spectrum1502233

    68. Spbio_000743

    69. Aristolochic Acid [mi]

    70. Aristolochic Acid [iarc]

    71. Dtxsid0040969

    72. Kbio1_001488

    73. Kbio2_000160

    74. Kbio2_001636

    75. Kbio2_002728

    76. Kbio2_004204

    77. Kbio2_005296

    78. Kbio2_006772

    79. Kbio3_000319

    80. Kbio3_000320

    81. Kbio3_002068

    82. Bio1_000418

    83. Bio1_000907

    84. Bio1_001396

    85. Bio2_000160

    86. Bio2_000640

    87. Hms1361h22

    88. Hms1791h22

    89. Hms1989h22

    90. Hms3402h22

    91. Aristolochic Acid [who-dd]

    92. Hy-n0510

    93. Tnp00273

    94. 8-methoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic Acid

    95. Bdbm50306855

    96. Ccg-35796

    97. Ccg-36162

    98. S9193

    99. Mixture Of Aristolochic Acid A And B

    100. Akos015896751

    101. Tr-1736

    102. Idi1_033910

    103. 2-naphthyl Pyrovalerone-d8 Hydrochloride

    104. Ncgc00017334-01

    105. Ncgc00017334-02

    106. Ncgc00017334-03

    107. Ncgc00017334-04

    108. Ncgc00017334-05

    109. Ncgc00017334-06

    110. Ncgc00017334-07

    111. Ncgc00095981-01

    112. Ncgc00095981-02

    113. Ncgc00095981-03

    114. Ncgc00095981-04

    115. Ncgc00095981-05

    116. 1246815-48-4

    117. Ac-34489

    118. Bs-16911

    119. Nci60_000460

    120. Xa167153

    121. Db-048017

    122. Cs-0009050

    123. Ft-0602867

    124. N2032

    125. C08469

    126. 313a677

    127. Aristolochic Acid, Plants Containing [iarc]

    128. Q-100394

    129. Sr-05000002369-2

    130. Sr-05000002369-3

    131. Q21099362

    132. Aristolochia, European Pharmacopoeia (ep) Reference Standard

    133. 8-methoxy-6-nitro-phenanthro[3,4-d][1,3]dioxole-5-carboxylic Acid

    134. Aristolochic Acid I, European Pharmacopoeia (ep) Reference Standard

    135. 8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic Acid #

    136. Phenanthro[3,4-d]-1,3-dioxole-5-carbocylic Acid, 8-methoxy-6-nitro-

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 341.27 g/mol
    Molecular Formula C17H11NO7
    XLogP33.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count2
    Exact Mass341.05355169 g/mol
    Monoisotopic Mass341.05355169 g/mol
    Topological Polar Surface Area111 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity550
    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

    Mutagens

    Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes. (See all compounds classified as Mutagens.)

    Carcinogens

    Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included. (See all compounds classified as Carcinogens.)