Substances (GSRS)

12553515-0fdc-4602-82c6-4bf8418817c1

chemical
Substance class
chemical
Definition type
ALTERNATIVE
Definition level
COMPLETE
Uuid
12553515-0fdc-4602-82c6-4bf8418817c1
Version
2
Relationships
  1. Uuid
    d67a0b5d-1f96-4813-924d-f6f7edb5332c
    Type
    SUB_ALTERNATE->SUBSTANCE
    Related substance
    Uuid
    8f108d62-7dca-4cea-9f08-b3fd2b40fd3e
    Refuuid
    12e0da3a-a5e8-475d-8117-db5fe3a78238
    Name
    4',5'- DIBROMOFLUORESCEIN
    UNII
    5P3H5X9X4Q
    Linking ID
    5P3H5X9X4Q
    Ref pname
    4',5'- DIBROMOFLUORESCEIN
    Substance class
    reference
References
  1. Uuid
    0f4e2c1e-f530-19b3-b443-7b46a1868c24
    Citation
    STN
    Doc type
    STN (SCIFINDER)
    Public domain
    true
    Tags
    PUBLIC_DOMAIN_RELEASE
Moieties
  1. Uuid
    2124a653-ae85-5349-1aed-4056471f1464
    ID
    2124a653-ae85-5349-1aed-4056471f1464
    Smiles
    c1ccc(c(c1)C2c3ccc(c(c3Oc4c2ccc(c4Br)O)Br)O)C(=O)O
    Formula
    C20H12Br2O5
    Atropisomerism
    No
    Charge
    0
    Count
    1
    Stereochemistry
    ACHIRAL
    Defined stereo
    0
    Ez centers
    0
    Molecular weight
    492.1141
    Optical activity
    NONE
    Stereo centers
    0
    Molfile

    Marvin 01132101522D 27 30 0 0 0 0 999 V2000 13.1190 -2.5644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8336 -2.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8336 -3.8019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5480 -2.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5480 -1.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2624 -1.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9770 -1.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9770 -2.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2624 -2.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2624 -4.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5480 -4.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8336 -4.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1190 -4.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1190 -5.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4046 -5.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8336 -5.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8336 -6.8131 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 14.5480 -5.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2624 -5.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9770 -5.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9770 -4.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6914 -4.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4059 -4.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4059 -5.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1204 -5.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6914 -5.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6914 -6.8131 0.0000 Br 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 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 18 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 16 14 2 0 0 0 0 16 17 1 0 0 0 0 18 16 1 0 0 0 0 18 19 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 20 26 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 26 24 1 0 0 0 0 26 27 1 0 0 0 0 M END

    Count amount
    Type
    MOL RATIO
    Average
    1
    Units
    MOL RATIO
    Uuid
    4697fc3a-2248-4de0-ad29-6b432979c0d8
Structure
ID
5c4da5b4-d204-554e-ebde-63ebe3614de2
Smiles
c1ccc(c(c1)C2c3ccc(c(c3Oc4c2ccc(c4Br)O)Br)O)C(=O)O
Formula
C20H12Br2O5
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
ACHIRAL
Defined stereo
0
Ez centers
0
Molecular weight
492.1141
Optical activity
NONE
Stereo centers
0
Molfile

Benzoic acid, 2-(4,5-dibromo-9,9a-dihydro-6-hydroxy-3-oxo-3H-xanthen-9-yl)- Marvin 01132104472D 27 30 0 0 0 0 999 V2000 13.8336 -2.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1190 -2.5644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8336 -3.8019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5480 -2.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2624 -2.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2624 -4.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9770 -4.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9770 -5.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2624 -5.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5480 -5.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5480 -4.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8336 -4.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1190 -4.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1190 -5.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8336 -5.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8336 -6.8131 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 12.4046 -5.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6914 -5.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6914 -6.8131 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 17.4059 -5.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4059 -4.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6914 -4.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1204 -5.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9770 -2.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9770 -1.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2624 -1.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5480 -1.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 6 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 15 14 1 0 0 0 0 10 15 2 0 0 0 0 15 16 1 0 0 0 0 14 17 1 0 0 0 0 8 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 21 20 2 0 0 0 0 22 21 1 0 0 0 0 7 22 2 0 0 0 0 20 23 1 0 0 0 0 5 24 1 0 0 0 0 24 25 2 0 0 0 0 26 25 1 0 0 0 0 27 26 2 0 0 0 0 4 27 1 0 0 0 0 M END

References
0f4e2c1e-f530-19b3-b443-7b46a1868c24
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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.