Substances (GSRS)

Phenol, 4,4′-sulfonylbis-, disodium salt

Also: Phenol, 4,4′-sulfonylbis-, sodium salt (1:2)

chemicalUNII VQ36DXT5JL
Open FDA's page for this record
Substance class
chemical
Definition type
PRIMARY
Definition level
COMPLETE
Uuid
13f172b2-69cb-4739-9715-1f7c26b5d9a3
Version
5
UNII
VQ36DXT5JL
Codes
  1. Uuid
    c3c7cb0f-25a2-4ff5-9fb6-bd8f12e526c5
    Code
    3594-55-6
    Type
    PRIMARY
    Url
    https://commonchemistry.cas.org/detail?cas_rn=3594-55-6
    Code system
    CAS
    References
    26e1500b-dd6a-4d3c-b76b-5b679b6cd168, e2de4dcd-0253-41a2-9933-b05c2757cb2f
  2. Uuid
    569fc88d-b45a-4a85-9db0-d4c33b522d74
    Code
    222-738-4
    Type
    PRIMARY
    Url
    https://echa.europa.eu/substance-information/-/substanceinfo/100.020.672
    Code system
    ECHA (EC/EINECS)
    References
    26e1500b-dd6a-4d3c-b76b-5b679b6cd168
  3. Uuid
    71afe3af-24a4-4e60-80ee-aa220dadaaf9
    Code
    77146
    Type
    PRIMARY
    Url
    https://pubchem.ncbi.nlm.nih.gov/compound/77146
    Code system
    PUBCHEM
    References
    26e1500b-dd6a-4d3c-b76b-5b679b6cd168
  4. Uuid
    7c06c3d7-32d8-4096-3450-37fc142e235d
    Code
    DTXSID3063095
    Type
    PRIMARY
    Url
    https://comptox.epa.gov/dashboard/chemical/details/DTXSID3063095
    Code system
    EPA CompTox
    References
    569aab11-13d1-2fb4-16c6-df6995c75e6a
  5. Uuid
    12145c55-2e95-4c95-94fe-66d0346d8ba3
    Code
    VQ36DXT5JL
    Type
    PRIMARY
    Code system
    FDA UNII
Relationships
  1. Uuid
    af1ad26e-2f24-4589-933a-9ffad809c6d7
    Type
    PARENT->SALT/SOLVATE
    Amount
    Uuid
    f19c41c1-144a-4f39-9243-c2e1c7024b4a
    Related substance
    Uuid
    90811a1e-721f-42c2-9b14-fd7fff9df807
    Refuuid
    b72d5c90-3ac4-4bd6-a6db-03b6622c95ff
    Name
    BISPHENOL S
    UNII
    3OX4RR782R
    Linking ID
    3OX4RR782R
    Ref pname
    BISPHENOL S
    Substance class
    reference
Names
  1. Uuid
    7ce80a6f-e837-474f-ab9b-f0012bddfd50
    Name
    Phenol, 4,4′-sulfonylbis-, disodium salt
    StdName
    PHENOL, 4,4'-SULFONYLBIS-, DISODIUM SALT
    Type
    sys
    Preferred
    false
    Display name
    true
    Languages
    en
    References
    2a459af5-0be1-4ac0-82a1-3ff0f1ab26c9, ee27108b-52bf-4a1b-a217-92bdf0245da4
  2. Uuid
    56d93e73-0147-4c45-b753-6b5af76d1498
    Name
    Phenol, 4,4′-sulfonylbis-, sodium salt (1:2)
    StdName
    PHENOL, 4,4'-SULFONYLBIS-, SODIUM SALT (1:2)
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    e2de4dcd-0253-41a2-9933-b05c2757cb2f
References
  1. Uuid
    ee27108b-52bf-4a1b-a217-92bdf0245da4
    Citation
    CHEMID
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  2. Uuid
    2a459af5-0be1-4ac0-82a1-3ff0f1ab26c9
    Citation
    EPA
    Doc type
    EPA
    Public domain
    true
    Tags
    NOMEN
  3. Uuid
    26e1500b-dd6a-4d3c-b76b-5b679b6cd168
    Citation
    SRS CODE IMPORT
    Doc type
    SRS
    Public domain
    true
    Document date
    1493393931000
    Tags
    NOMEN
  4. Uuid
    569aab11-13d1-2fb4-16c6-df6995c75e6a
    Citation
    WEBSITE
    Url
    https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=3594-55-6
    Doc type
    WEBSITE
    Public domain
    true
    Tags
    NOMEN, PUBLIC_DOMAIN_RELEASE
  5. Uuid
    e2de4dcd-0253-41a2-9933-b05c2757cb2f
    Citation
    STN
    Doc type
    STN (SCIFINDER)
    Public domain
    true
Moieties
  1. Uuid
    504c181a-ca26-429a-9d71-eacd93ad69b9
    ID
    504c181a-ca26-429a-9d71-eacd93ad69b9
    Smiles
    [Na+]
    Formula
    Na
    Atropisomerism
    No
    Charge
    1
    Count
    2
    Stereochemistry
    ACHIRAL
    Defined stereo
    0
    Ez centers
    0
    Molecular weight
    22.9898
    Optical activity
    NONE
    Stereo centers
    0
    Molfile

    Marvin 01132104112D 1 0 0 0 0 0 999 V2000 0.3781 -3.7089 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 M CHG 1 1 1 M END

    Count amount
    Type
    MOL RATIO
    Average
    2
    Units
    MOL RATIO
    Uuid
    79edee00-d16c-424b-91a2-2c8b582fd896
  2. Uuid
    21d6dcdb-2ae8-496d-a241-be8b2751c8d5
    ID
    21d6dcdb-2ae8-496d-a241-be8b2751c8d5
    Smiles
    c1cc(ccc1[O-])S(=O)(=O)c2ccc(cc2)[O-]
    Formula
    C12H8O4S
    Atropisomerism
    No
    Charge
    -2
    Count
    1
    Stereochemistry
    ACHIRAL
    Defined stereo
    0
    Ez centers
    0
    Molecular weight
    248.2561
    Optical activity
    NONE
    Stereo centers
    0
    Molfile

    Marvin 01132101542D 17 18 0 0 0 0 999 V2000 7.9626 -3.6126 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1376 -3.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7190 -2.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8984 -2.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4891 -3.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9006 -4.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7284 -4.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6642 -3.6282 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -4.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6616 -2.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8392 -3.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4224 -2.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6017 -2.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1907 -3.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3657 -3.6354 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6004 -4.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4282 -4.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 7 2 2 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 17 11 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 M CHG 2 1 -1 15 -1 M END

    Count amount
    Type
    MOL RATIO
    Average
    1
    Units
    MOL RATIO
    Uuid
    8ccb0843-6d78-4b59-853f-97f19bec67e2
Structure
ID
b9d0eb0d-f11c-416a-b958-66e50cdc2e89
Smiles
c1cc(ccc1[O-])S(=O)(=O)c2ccc(cc2)[O-].[Na+].[Na+]
Formula
C12H8O4S.2Na
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
ACHIRAL
Defined stereo
0
Ez centers
0
Molecular weight
294.2356
Optical activity
NONE
Stereo centers
0
Molfile

JSDraw210112316562D 19 18 0 0 0 0 0 V2000 27.5846 -1.5600 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 30.7046 -1.5600 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 27.5846 -17.1600 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 27.5846 -15.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9356 -14.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9356 -13.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5846 -12.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2335 -13.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2335 -14.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5846 -10.9200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 26.0246 -10.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1446 -10.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5846 -9.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9356 -8.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9356 -7.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5846 -6.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5846 -4.6800 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 26.2335 -7.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2335 -8.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 4 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 13 19 1 0 0 0 0 M CHG 4 1 1 2 1 3 -1 17 -1 M END

References
ee27108b-52bf-4a1b-a217-92bdf0245da4
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Data from openFDA, FDA's public API. FDA says not to rely on it to make decisions about medical care and to treat every result as unvalidated; confirm against FDA's own record and the product labeling. Not medical or legal advice.