{
  "meta": {
    "disclaimer": "Do not rely on openFDA to make decisions regarding medical care. While we make every effort to ensure that data is accurate, you should assume all results are unvalidated. We may limit or otherwise restrict your access to the API in line with our Terms of Service.",
    "terms": "https://open.fda.gov/terms/",
    "license": "https://open.fda.gov/license/",
    "last_updated": "2025-09-19",
    "results": {
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          "code": "68929-04-4",
          "type": "PRIMARY",
          "url": "https://commonchemistry.cas.org/detail?cas_rn=68929-04-4",
          "code_system": "CAS",
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          "code_system": "EPA CompTox"
        }
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            "PUBLIC_DOMAIN_RELEASE",
            "AUTO_SELECTED"
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          "document_date": 1493391984000,
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          "doc_type": "SRS",
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          "smiles": "[OH-]",
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          "atropisomerism": "No",
          "charge": -1,
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          "stereochemistry": "ACHIRAL",
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          "molfile": "\n  Marvin  01132106042D          \n\n  1  0  0  0  0  0            999 V2000\n    2.0289   -5.6882    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\nM  CHG  1   1   1\nM  END",
          "smiles": "[Na+]",
          "formula": "Na",
          "atropisomerism": "No",
          "charge": 1,
          "count": 2,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
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          "smiles": "CCCCCCCCCCCC1=NCC[N+]1(CCC(=O)[O-])CCOCCC(=O)[O-]",
          "formula": "C22H39N2O5",
          "atropisomerism": "No",
          "charge": -1,
          "count": 1,
          "stereochemistry": "RACEMIC",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "5415839f-53b9-47da-92be-3871ecb50548"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "411.5563",
          "optical_activity": "( + / - )",
          "stereo_centers": 1
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "c97c954a-dceb-40f8-a4c8-c77b123a08d5",
      "version": "3",
      "structure": {
        "id": "893b7c03-0b93-4d10-9419-815f8e734d25",
        "molfile": "\n  Marvin  01132107082D          \n\n 32 29  0  0  0  0            999 V2000\n   10.7589   -4.7225    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   10.7589   -3.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6072   -3.6693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0574   -4.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5284   -5.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1512   -3.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3815   -3.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7445   -3.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9796   -3.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3359   -2.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5662   -3.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9292   -2.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1643   -2.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5159   -2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7463   -2.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1139   -2.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3312   -5.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7589   -6.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3379   -6.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7589   -7.6032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5188   -6.8875    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.0365   -4.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3208   -4.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5939   -4.2836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8781   -4.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1624   -4.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4469   -4.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4469   -5.5169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7246   -4.2656    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   11.8839   -5.8838    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    2.0289   -5.6882    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    2.0289   -5.6882    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\n  5  4  1  0  0  0  0\n  1  5  1  0  0  0  0\n  2  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 13 12  1  0  0  0  0\n 14 13  1  0  0  0  0\n 15 14  1  0  0  0  0\n 15 16  1  0  0  0  0\n  1 17  1  0  0  0  0\n 18 17  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  2  0  0  0  0\n 19 21  1  0  0  0  0\n  1 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n 24 23  1  0  0  0  0\n 24 25  1  0  0  0  0\n 26 25  1  0  0  0  0\n 27 26  1  0  0  0  0\n 27 28  2  0  0  0  0\n 27 29  1  0  0  0  0\n  1  2  1  0  0  0  0\nM  CHG  6   1   1  21  -1  29  -1  30  -1  31   1  32   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2  31  32\nM  SPA   1  1  31\nM  SDI   1  4    1.6089   -6.1082    1.6089   -5.2682\nM  SDI   1  4    2.4489   -5.2682    2.4489   -6.1082\nM  SMT   1 2\nM  END",
        "smiles": "CCCCCCCCCCCC1=NCC[N+]1(CCC(=O)[O-])CCOCCC(=O)[O-].[Na+].[Na+].[OH-]",
        "formula": "C22H39N2O5.2Na.HO",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "474.5432",
        "optical_activity": "( + / - )",
        "references": [
          "a463c1ce-5eef-44d4-9162-2ba613e68e27",
          "eab93371-b480-40fd-b85b-244a5b1e29d2"
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        "stereo_centers": 1
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      "unii": "WU937CKL4U"
    }
  ]
}