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    Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-C

    ANALYTICAL

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    2D Structure
    Also known as: 2353-45-9, Food green 3, Fd&c green no. 3, Solid green fcf, Food green no. 3, Fd & c green no. 3
    Molecular Formula
    C37H34N2Na2O10S3
    Molecular Weight
    808.9  g/mol
    InChI Key
    RZSYLLSAWYUBPE-UHFFFAOYSA-L
    FDA UNII
    9J3VQ0Y6BV
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-5-hydroxybenzenesulfonate
    2.1.2 InChI
    InChI=1S/C37H36N2O10S3.2Na/c1-3-38(24-26-7-5-9-33(21-26)50(41,42)43)30-15-11-28(12-16-30)37(35-20-19-32(40)23-36(35)52(47,48)49)29-13-17-31(18-14-29)39(4-2)25-27-8-6-10-34(22-27)51(44,45)46;;/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49);;/q;2*+1/p-2
    2.1.3 InChI Key
    RZSYLLSAWYUBPE-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=C(C=C(C=C5)O)S(=O)(=O)[O-].[Na+].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    9J3VQ0Y6BV
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. C.i. 42053

    2. F D And C Green #3

    3. F D And C Green No. 3

    4. Fd And C Green No. 3

    5. Fdc Green No. 3

    6. Food Green 3

    7. Green No. 3

    2.3.2 Depositor-Supplied Synonyms

    1. 2353-45-9

    2. Food Green 3

    3. Fd&c Green No. 3

    4. Solid Green Fcf

    5. Food Green No. 3

    6. Fd & C Green No. 3

    7. C.i. 42053

    8. 9j3vq0y6bv

    9. Disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-5-hydroxybenzenesulfonate

    10. Chebi:82468

    11. 5-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-2-hydroxybenzenesulfonate

    12. Fast Green Fcf 100 Microg/ml In Acetonitrile/water

    13. 1724 Green

    14. Zelen Stala Fcf [czech]

    15. Ccris 1867

    16. Zelen Potravinarska 3 [czech]

    17. Nsc-379443

    18. Einecs 219-091-5

    19. Mfcd00013053

    20. Unii-3p3onr6o1s

    21. Unii-9j3vq0y6bv

    22. Nsc 379443

    23. Ci 42053

    24. Fast-green

    25. Fastgreenfcf

    26. Hsdb 7973

    27. Japan Green 3

    28. Fd&c Green #3

    29. Benzenemethanaminium,n-ethyl-n-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, Inner Salt,disodium Salt

    30. Dsstox_cid_673

    31. Fast Green [fcc]

    32. 3p3onr6o1s

    33. Dsstox_rid_75724

    34. Dsstox_gsid_20673

    35. Schembl67371

    36. Fast Green Fcf [mi]

    37. Benzenemethanaminium, N-ethyl-n-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-c

    38. Benzenemethanaminium, N-ethyl-n-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, Hydroxide, Inner Salt, Disodium Salt

    39. Schembl126069

    40. Chembl3188843

    41. Dtxsid3020673

    42. Amy22359

    43. C1 Food Green 3, Cl 42053

    44. Fast Green Fcf, Analytical Standard

    45. Tox21_302086

    46. Fast Green Fcf, Dye Content >=85 %

    47. Ncgc00255331-01

    48. Ammonium, Ethyl(4-(alpha-(p-(ethyl(m-sulfobenzyl)amino)phenyl)-4-hydroxy-3-sulfobenzylidene)-2,5-cyclohexadien-1-ylidene)(m-sulfobenzyl)-, Hydroxide, Inner Salt, Disodium Salt

    49. As-83516

    50. Benzenemethanaminium, N-ethyl-n-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(4-hyd- Roxy-2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulf- O-, Hydroxide, Inner Salt, Disodium Salt

    51. Benzenemethanaminium, N-ethyl-n-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, Inner Salt, Disodium Salt

    52. Dihydrogen (ethyl)(4-(4-(ethyl(3-sulphonatobenzyl)amino)(4-hydroxy-2-sulphonatobenzhydrylidene)cyclohexa-2,5-dien-1-ylidene)(3-sulphonatobenzyl)ammonium, Disodium Salt

    53. Disodium 2-{(z)-(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)[(4z)-4-{ethyl[(3-sulfonatophenyl)methyl]iminio}cyclohexa-2,5-dien-1-ylidene]methyl}-5-hydroxybenzenesulfonate

    54. Ethyl (4-(alpha-(p-(ethyl(m-sulfobenzyl)amino)phenyl)-4-hydroxy-3-sulfobenzylidene)-2,5-cyclohexadien-1-ylidene)(m-sulfobenzyl)ammonium Hydroxide Inner Salt Disodium Salt

    55. N-ethyl-n-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(4-hyd- Roxy-2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulf- Obenzenemethanaminium Hydroxide, Inner Salt, Disodium Salt

    56. Cas-2353-45-9

    57. F0099

    58. F0146

    59. F0718

    60. Ft-0626390

    61. D90631

    62. Q898299

    63. Fast Green Fcf, Certified By The Biological Stain Commission

    64. Benzenemethanaminium, N-ethyl-n-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, Inner Salt, Sodium Salt (1:2)

    65. Disodium 2-[(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)[(1e,4e)-4-{ethyl[(3-sulfonatophenyl)methyl]iminiumyl}cyclohexa-2,5-dien-1-ylidene]methyl]-5-hydroxybenzene-1-sulfonate

    66. Disodium 2-{(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)[4-{ethyl[(3-sulfonatophenyl)methyl]iminio}cyclohexa-2,5-dien-1-ylidene]methyl}-5-hydroxybenzene-1-sulfonate

    67. Sodium 2-((4-(ethyl(3-sulfonatobenzyl)amino)phenyl)(4-(ethyl(3-sulfonatobenzyl)iminio)cyclohexa-2,5-dien-1-ylidene)methyl)-5-hydroxybenzenesulfonate

    68. Sodium 2-((e)-(4-(ethyl(3-sulfonatobenzyl)amino)phenyl)((e)-4-(ethyl(3-sulfonatobenzyl)iminio)cyclohexa-2,5-dienylidene)methyl)-5-hydroxybenzenesulfonate

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 808.9 g/mol
    Molecular Formula C37H34N2Na2O10S3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count9
    Exact Mass808.11709737 g/mol
    Monoisotopic Mass808.11709737 g/mol
    Topological Polar Surface Area223 Ų
    Heavy Atom Count54
    Formal Charge0
    Complexity1540
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 Absorption, Distribution and Excretion

    Following i.v. injection in rats, over 90% of the /Fast Green FCF/ was excreted in the bile within 4 hours.

    FAO/WHO; Expert Committee on Food Additives (JECFA): Food Additives Series 20 for Fast Green FCF (2353-45-9). (1985) Available from, as of June 22, 2011: https://www.inchem.org/pages/jecfa.html

    Dogs were given orally 200 mg of the /Fast Green FCF/... a bile fistula was made for bile analysis. ... The amount of /Fast Green FCF found in the bile/ never exceeded 5% of the given dose. ...

    FAO/WHO; Expert Committee on Food Additives (JECFA): Food Additives Series 20 for Fast Green FCF (2353-45-9). (1985) Available from, as of June 22, 2011: https://www.inchem.org/pages/jecfa.html

    Rats ... were given orally 200 mg of the /Fast Green FCF/... the urine and feces were collected for 36 hours. ... Almost all the administered /Fast Green FCF/ was excreted unchanged in the feces of rats. No /Fast Green FCF/ was found in the urine. ...

    FAO/WHO; Expert Committee on Food Additives (JECFA): Food Additives Series 20 for Fast Green FCF (2353-45-9). (1985) Available from, as of June 22, 2011: https://www.inchem.org/pages/jecfa.html