Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E01EGO)
DIG Name
FD&C Green 3
Synonyms    Click to Show/Hide the Synonyms of This DIG
Fast Green FCF; Food green 3; 2353-45-9; FD&C Green No. 3; Food Green No. 3; C.I. 42053; FD & C Green no. 3; UNII-9J3VQ0Y6BV; MFCD00013053; 9J3VQ0Y6BV; disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-5-hydroxybenzenesulfonate; CHEBI:82468; Fast Green FCF (C.I. 42053); 5-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-2-hydroxybenzenesulfonate; 1724 Green; Zelen Stala FCF [Czech]; CCRIS 1867; Zelen potravinarska 3 [Czech]; EINECS 219-091-5; NSC 379443; CI 42053; fast-green; HSDB 7973; Japan Green 3; FD&C Green #3; DSSTox_CID_673; DSSTox_RID_75724; DSSTox_GSID_20673; SCHEMBL67371; Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-C; 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; SCHEMBL126069; CHEMBL3188843; DTXSID3020673; C37H34N2Na2O10S3; AMY22359; C1 Food Green 3, Cl 42053; Fast Green FCF, analytical standard; Tox21_302086; Fast Green FCF, Dye content >=85 %; NCGC00255331-01; 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; 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; 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; Dihydrogen (ethyl)(4-(4-(ethyl(3-sulphonatobenzyl)amino)(4-hydroxy-2-sulphonatobenzhydrylidene)cyclohexa-2,5-dien-1-ylidene)(3-sulphonatobenzyl)ammonium, disodium salt; 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; 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; 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; CAS-2353-45-9; F0099; F0146; F0718; FT-0626390; D90631; Q898299; Fast Green FCF 100 microg/mL in Acetonitrile/Water; UNII-3P3ONR6O1S component RZSYLLSAWYUBPE-UHFFFAOYSA-L; Fast Green FCF, certified by the Biological Stain Commission; 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; 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; sodium 2-((E)-(4-(ethyl(3-sulfonatobenzyl)amino)phenyl)((E)-4-(ethyl(3-sulfonatobenzyl)iminio)cyclohexa-2,5-dienylidene)methyl)-5-hydroxybenzenesulfonate
DIG Function
Colorant
PubChem CID
16887
Formula
C37H34N2Na2O10S3
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+]
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
InChIKey
RZSYLLSAWYUBPE-UHFFFAOYSA-L
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=16887"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 808.9 Topological Polar Surface Area 223
XlogP N.A. Complexity 1540
Heavy Atom Count 54 Rotatable Bond Count 9
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 11
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 16 Genitourinary system disease Click to Show/Hide
Oxybutynin
 API Info
Overactive bladder [ICD-11: GC50]
 [1]
References
1 FDA label for approved oxybutynin from the official website of the U.S. Food and Drug Administration.

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