Substances (GSRS)

1-NAPHTHALENESULFONIC ACID, 4,4'-((2,4-DIHYDROXY-5-(HYDROXYMETHYL)-1,3-PHENYLENE)BIS(2,1-DIAZENEDIY…

Also: 1-NAPHTHALENESULFONIC ACID, 4,4'-((2,4-DIHYDROXY-5-(HYDROXYMETHYL)-1,3-PHENYLENE)BIS(AZO))BIS-, DISODIUM SALT, C.I. 20285, C.I. FOOD BROWN…

chemicalUNII 067L3J47ID
Open FDA's page for this record
Substance class
chemical
Definition type
PRIMARY
Definition level
COMPLETE
Uuid
1a6852ab-3ba1-4583-b660-7d90eceb5e2f
Version
8
UNII
067L3J47ID
Codes
  1. Uuid
    a1d54c82-5dd8-477a-a710-ab7ce503ccca
    Code
    4553-89-3
    Type
    PRIMARY
    Url
    https://commonchemistry.cas.org/detail?cas_rn=4553-89-3
    Code system
    CAS
    References
    0775a3e8-ef47-4c6f-9dbe-38792e861924, 7dc04cfe-eb2f-474d-8d56-cc7b1da79833
  2. Uuid
    f90b13bb-272f-49d2-ab44-5d1bd9ec39e3
    Code
    INS-155
    Comments
    Codex Alimentarius|Functional Classification|Colour
    Type
    PRIMARY
    Url
    http://www.fao.org/gsfaonline/additives/details.html?id=114
    Code system
    CODEX ALIMENTARIUS (GSFA)
    References
    0775a3e8-ef47-4c6f-9dbe-38792e861924
  3. Uuid
    f9d5b4b7-dcb3-434e-9937-dd234c315f90
    Code
    INS-155
    Comments
    JECFA Evaluation|Functional Classification|COLOUR
    Type
    PRIMARY
    Url
    http://apps.who.int/food-additives-contaminants-jecfa-database/chemical.aspx?chemINS=155
    Code system
    JECFA EVALUATION
    References
    0775a3e8-ef47-4c6f-9dbe-38792e861924
  4. Uuid
    9212cb40-0bd0-4d88-bda9-cd713000e60c
    Code
    224-924-0
    Type
    PRIMARY
    Url
    https://echa.europa.eu/substance-information/-/substanceinfo/100.022.659
    Code system
    ECHA (EC/EINECS)
    References
    0775a3e8-ef47-4c6f-9dbe-38792e861924
  5. Uuid
    71f3d870-c5c0-2013-92b0-a2c62fdd6e46
    Code
    Chocolate brown HT
    Type
    PRIMARY
    Url
    https://en.wikipedia.org/wiki/Chocolate_brown%20HT
    Code system
    WIKIPEDIA
    References
    68c17b6f-52e4-c49f-c8f5-6e99b89467bb
  6. Uuid
    fb86227f-dc8e-3323-58b6-55382ca32609
    Code
    DTXSID9020324
    Type
    PRIMARY
    Url
    https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020324
    Code system
    EPA CompTox
    References
    7ff1ac0f-2f80-8ad9-404a-72c0228500a7
  7. Uuid
    e51eaa89-679e-4b70-81cb-a38584ebadd7
    Code
    067L3J47ID
    Type
    PRIMARY
    Code system
    FDA UNII
  8. Uuid
    64ba8a36-8d00-1b72-8de9-ac5b07ccf557
    Code
    100000115561
    Type
    PRIMARY
    Code system
    SMS_ID
    References
    d2d0d468-3897-8b4c-9fb8-8a8337d69702
Relationships
  1. Uuid
    556e2050-a34a-4d8c-951b-e414deaef6a2
    Type
    PARENT->SALT/SOLVATE
    Related substance
    Uuid
    6b4ba4d6-da8d-4955-8a04-1b87579f7805
    Refuuid
    436c4f3e-d4ee-489e-8919-2a7d3f773568
    Name
    CHOCOLATE BROWN HT FREE ACID
    UNII
    RH77QMZ6Y1
    Linking ID
    RH77QMZ6Y1
    Ref pname
    CHOCOLATE BROWN HT FREE ACID
    Substance class
    reference
Names
  1. Uuid
    5a61719b-2868-48c4-8c10-64d39e1cf56f
    Name
    1-NAPHTHALENESULFONIC ACID, 4,4'-((2,4-DIHYDROXY-5-(HYDROXYMETHYL)-1,3-PHENYLENE)BIS(2,1-DIAZENEDIYL))BIS-, SODIUM SALT (1:2)
    StdName
    1-NAPHTHALENESULFONIC ACID, 4,4'-((2,4-DIHYDROXY-5-(HYDROXYMETHYL)-1,3-PHENYLENE)BIS(2,1-DIAZENEDIYL))BIS-, SODIUM SALT (1:2)
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    2803a93a-5cf8-4ab6-8b55-85297f163cfe, faf08de3-6662-4237-99a0-5d3742f6fcea
  2. Uuid
    fd8e2e7c-244b-41f4-b4f8-c8994d83b4c9
    Name
    1-NAPHTHALENESULFONIC ACID, 4,4'-((2,4-DIHYDROXY-5-(HYDROXYMETHYL)-1,3-PHENYLENE)BIS(AZO))BIS-, DISODIUM SALT
    StdName
    1-NAPHTHALENESULFONIC ACID, 4,4'-((2,4-DIHYDROXY-5-(HYDROXYMETHYL)-1,3-PHENYLENE)BIS(AZO))BIS-, DISODIUM SALT
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    2803a93a-5cf8-4ab6-8b55-85297f163cfe, faf08de3-6662-4237-99a0-5d3742f6fcea
  3. Uuid
    71a8eb3f-92d1-4fbc-8196-b8afea75ba92
    Name
    C.I. 20285
    StdName
    C.I. 20285
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    2803a93a-5cf8-4ab6-8b55-85297f163cfe, faf08de3-6662-4237-99a0-5d3742f6fcea
  4. Uuid
    2fae90ca-b3f1-45cf-a7cc-e932bde70244
    Name
    C.I. FOOD BROWN 3
    StdName
    C.I. FOOD BROWN 3
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    2803a93a-5cf8-4ab6-8b55-85297f163cfe, faf08de3-6662-4237-99a0-5d3742f6fcea
  5. Uuid
    6a591a72-8f9f-4190-9e28-4406da149230
    Name
    CERTICOL BROWN N
    StdName
    CERTICOL BROWN N
    Type
    bn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    2803a93a-5cf8-4ab6-8b55-85297f163cfe, faf08de3-6662-4237-99a0-5d3742f6fcea
  6. Uuid
    98d42619-b132-40cf-a17f-83efd4cf0d8b
    Name
    CERTICOL BROWN RS
    StdName
    CERTICOL BROWN RS
    Type
    bn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    2803a93a-5cf8-4ab6-8b55-85297f163cfe, faf08de3-6662-4237-99a0-5d3742f6fcea
  7. Uuid
    4209a827-edfd-4a9f-92e7-7c4fd6d3323c
    Name
    CHOCOLATE BROWN HT
    StdName
    CHOCOLATE BROWN HT
    Type
    cn
    Preferred
    false
    Display name
    true
    Languages
    en
    References
    cdd7f682-4878-42eb-8a51-a532aa5b7150
  8. Uuid
    d63f8bcd-e452-4f3c-b048-a5ff04b9a938
    Name
    CHOCOLATE BROWN HT CI 20285
    StdName
    CHOCOLATE BROWN HT CI 20285
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    860b9229-e2c8-483c-b662-bdc6beae940b, faf08de3-6662-4237-99a0-5d3742f6fcea
  9. Uuid
    005a5344-4be9-45ac-8d4d-df46a1c199c3
    Name
    CI (1975) NO. 20285
    StdName
    CI (1975) NO. 20285
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    faf08de3-6662-4237-99a0-5d3742f6fcea, 1df92acb-67b9-4481-8a14-768d53b7973a
  10. Uuid
    969b8826-38a0-460e-836d-6e49e974ab19
    Name
    CI 20285
    StdName
    CI 20285
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    2803a93a-5cf8-4ab6-8b55-85297f163cfe, faf08de3-6662-4237-99a0-5d3742f6fcea
  11. Uuid
    7b27810d-075f-444e-abd4-db1169318da2
    Name
    E-155
    StdName
    E-155
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    faf08de3-6662-4237-99a0-5d3742f6fcea, 1df92acb-67b9-4481-8a14-768d53b7973a
  12. Uuid
    d9ea0e1c-b343-404f-8687-a0258a752d6b
    Name
    EDICOL BROWN HT
    StdName
    EDICOL BROWN HT
    Type
    bn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    2803a93a-5cf8-4ab6-8b55-85297f163cfe, faf08de3-6662-4237-99a0-5d3742f6fcea
  13. +2 more not shown
References
  1. Uuid
    cdd7f682-4878-42eb-8a51-a532aa5b7150
    Citation
    ICSAS BATCH 2010
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN, PUBLIC_DOMAIN_RELEASE, AUTO_SELECTED
  2. Uuid
    2803a93a-5cf8-4ab6-8b55-85297f163cfe
    Citation
    STN
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  3. Uuid
    faf08de3-6662-4237-99a0-5d3742f6fcea
    Citation
    STN (SCIFINDER)
    Doc type
    STN (SCIFINDER)
    Public domain
    true
    Tags
    NOMEN
  4. Uuid
    860b9229-e2c8-483c-b662-bdc6beae940b
    Citation
    WHO-DD
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  5. Uuid
    1df92acb-67b9-4481-8a14-768d53b7973a
    Citation
    JECFA
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  6. Uuid
    0775a3e8-ef47-4c6f-9dbe-38792e861924
    Citation
    SRS CODE IMPORT
    Doc type
    SRS
    Public domain
    true
    Document date
    1493390905000
    Tags
    NOMEN
  7. Uuid
    f9da7a4b-a9e8-4d27-82e0-bd5a17677a9b
    Citation
    SRS import [067L3J47ID]
    Url
    http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=067L3J47ID
    Doc type
    SRS
    Public domain
    true
    Document date
    1493390905000
    Tags
    NOMEN
  8. Uuid
    672c8756-2325-448f-bf68-a98a097e7d29
    Citation
    CHEMID 2010
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  9. Uuid
    68c17b6f-52e4-c49f-c8f5-6e99b89467bb
    Citation
    WIKI
    Url
    https://en.wikipedia.org/wiki/Chocolate_brown%20HT
    Doc type
    WIKI
    Public domain
    true
    Tags
    NOMEN, PUBLIC_DOMAIN_RELEASE
  10. Uuid
    7ff1ac0f-2f80-8ad9-404a-72c0228500a7
    Citation
    WEBSITE
    Url
    https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=4553-89-3
    Doc type
    WEBSITE
    Public domain
    true
    Tags
    NOMEN, PUBLIC_DOMAIN_RELEASE
  11. Uuid
    d2d0d468-3897-8b4c-9fb8-8a8337d69702
    Citation
    EU-SRS
    Doc type
    EMA LIST
    Public domain
    true
  12. Uuid
    7dc04cfe-eb2f-474d-8d56-cc7b1da79833
    Citation
    STN
    Doc type
    STN (SCIFINDER)
    Public domain
    true
  13. +1 more not shown
Moieties
  1. Uuid
    1363b8eb-e1a7-4768-a124-7dea7fd0a04f
    ID
    1363b8eb-e1a7-4768-a124-7dea7fd0a04f
    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 01132101132D 1 0 0 0 0 0 999 V2000 7.6172 -7.7904 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
    ed9280a8-782c-4fc3-b296-8b34d6fff504
  2. Uuid
    06cc27b8-74b3-4907-beb1-9b795e873d8e
    ID
    06cc27b8-74b3-4907-beb1-9b795e873d8e
    Smiles
    c1ccc2c(c1)c(ccc2S(=O)(=O)[O-])NN=c3cc(C[O-])c(=O)c(=NNc4ccc(c5ccccc54)S(=O)(=O)O)c3=O
    Formula
    C27H18N4O9S2
    Atropisomerism
    No
    Charge
    -2
    Count
    1
    Stereochemistry
    ACHIRAL
    Defined stereo
    0
    Ez centers
    0
    Molecular weight
    606.5864
    Optical activity
    NONE
    Stereo centers
    0
    Molfile

    Marvin 01132100382D 42 46 0 0 0 0 999 V2000 1.9194 -6.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6925 -5.8178 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9064 -6.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3469 -5.0707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4073 -5.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 -5.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8369 -5.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8369 -4.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5517 -4.1704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2620 -4.5823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9766 -4.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9766 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2620 -2.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6915 -2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6915 -2.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4064 -1.6947 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.4064 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4064 -4.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1211 -4.5823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8359 -4.1704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5462 -4.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5462 -5.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2610 -5.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9758 -5.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9758 -4.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6906 -4.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6906 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9758 -2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2610 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2610 -4.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6906 -5.8178 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.0362 -5.0707 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.4767 -6.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4636 -6.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6915 -4.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6915 -5.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 -4.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4073 -2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6925 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6925 -4.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4073 -4.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 5 2 1 0 0 0 0 5 6 1 0 0 0 0 42 5 2 0 0 0 0 6 7 2 0 0 0 0 8 7 1 0 0 0 0 8 9 1 0 0 0 0 37 8 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 3 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 15 16 1 0 0 0 0 18 17 1 0 0 0 0 18 19 2 3 0 0 0 35 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 30 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 25 24 2 0 0 0 0 24 31 1 0 0 0 0 25 26 1 0 0 0 0 30 25 1 0 0 0 0 26 27 2 0 0 0 0 28 27 1 0 0 0 0 29 28 2 0 0 0 0 30 29 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 31 34 2 0 0 0 0 35 36 2 0 0 0 0 37 38 1 0 0 0 0 42 37 1 0 0 0 0 38 39 2 0 0 0 0 40 39 1 0 0 0 0 41 40 2 0 0 0 0 42 41 1 0 0 0 0 M CHG 2 16 -1 32 -1 M END

    Count amount
    Type
    MOL RATIO
    Average
    1
    Units
    MOL RATIO
    Uuid
    26961eba-143f-41f0-9bbf-b7b24069509a
Structure
ID
0bbb4307-8aa3-44db-aadd-7d27e0f0a787
Smiles
c1ccc2c(c1)c(ccc2S(=O)(=O)[O-])/N=N/c3cc(CO)c(c(c3O)/N=N/c4ccc(c5ccccc54)S(=O)(=O)[O-])O.[Na+].[Na+]
Formula
C27H18N4O9S2.2Na
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
ACHIRAL
Defined stereo
0
Ez centers
2
Molecular weight
652.566
Optical activity
NONE
Stereo centers
0
Molfile

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References
f9da7a4b-a9e8-4d27-82e0-bd5a17677a9b, 672c8756-2325-448f-bf68-a98a097e7d29
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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.