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Compound Summary

Brilliant Blue FCF

Compound Information

Brilliant Blue FCF

Compound Name:	Brilliant Blue FCF
Compound CID:	19700
Synonyms:	Brilliant Blue FCF 3844-45-9 Acid Blue 9 Brilliant Blue FD&C Blue No. 1 More...
Iupac Name:	disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate
InChI:	InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2
InChIKey:	SGHZXLIDFTYFHQ-UHFFFAOYSA-L
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=CC=CC=C5S(=O)(=O)[O-].[Na+].[Na+]
Isomeric 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=CC=CC=C5S(=O)(=O)[O-].[Na+].[Na+]
Molecular Weight:	792.9
Molecular Formula:	C37H34N2Na2O9S3

Compound Structure

2D Structure:

3D Structure:

Computed Properties

Brilliant Blue FCF

Molecular Weight:	792.9
Molecular Formula:	C37H34N2Na2O9S3
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	10
Rotatable Bond Count:	9
Heavy Atom Count:	53
Complexity:	1510

Synonyms

Brilliant Blue FCF

Brilliant Blue FCF	Brilliant Blue FCF
Brilliant Blue FCF	3844-45-9
Acid Blue 9	Brilliant Blue
FD&C Blue No. 1	Erioglaucine disodium salt
Blue 1206	Alphazurine FG
FD and C Blue No. 1	FD & C Blue no. 1
Food Blue No. 1	Dolkwal Brilliant Blue
Acid Sky Blue A	Food Blue 1
C.I. ACID BLUE 9, DISODIUM SALT	UNII-PPQ093M8HR
Usacert Blue No. 1	C.I. Food Blue 2
Hexacol Brilliant Blue A	Brilliant Blue FCF supra
1206 Blue	Canacert Brilliant Blue FCF
MFCD00012141	PPQ093M8HR
FD&C Blue 1	Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, hydroxide, inner salt, disodium salt
CHEBI:82411	Acid Blue 9;FD&C Blue No. 1;E133
FD&C blue No.1	Fenazo Blue XI
Merantine Blue EG	Benzenemethanaminium, N-ethyl-N-4-4-ethyl(3-sulfophenyl)methylaminophenyl(2-sulfophenyl)methylene-2,5-cyclohexadien-1-ylidene-3-sulfo-, inner salt, disodium salt
Cosmetic Blue Lake	blue no. 1
Japan Blue No. 1	Intracid Pure Blue L
FDC Blue No. 1	Erioglaucin A
Food Blue Dye No. 1	Modr Kysela 9 Czech
Aizen Food Blue No. 2	CCRIS 97
Modr Kysela 9	Blue FCF
Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt, disodium salt	disodium 2-{(Z)-(4-{ethyl(3-sulfonatophenyl)methylamino}phenyl)(4Z)-4-{ethyl(3-sulfonatophenyl)methyliminio}cyclohexa-2,5-dien-1-ylidenemethyl}benzenesulfonate
disodium;2-4-ethyl-(3-sulfonatophenyl)methylaminophenyl-4-ethyl-(3-sulfonatophenyl)methylazaniumylidenecyclohexa-2,5-dien-1-ylidenemethylbenzenesulfonate	Modr Brilantni FCF Czech
Food Blue No.1	Modr Brilantni FCF
Modr Potravinarska 2 Czech	Modr Potravinarska 2
Usacert FD and C Blue No. 1	Brilliant blue FCF, disodium salt
Brilliant Blue E 133	D&C Blue No. 1
E133	EINECS 223-339-8
HSDB 7972	8-(phenylamino)-5-(E)-{4-(E)-(3-sulfophenyl)diazenylnaphthalen-1-yl}diazenylnaphthalene-1-sulfonic acid
Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt, sodium salt (1:2)	Benzenemethanaminium, N-ethyl-N-4-4-ethyl(3-sulfophenyl)methylaminophenyl(2-sulfophenyl)methylene-2,5-cyclohexadien-1-ylidene-3-sulfo-, inner salt, sodium salt (1:2)
Erioglaucine sodium salt	FD&C Blue #1
DSSTox_CID_189	DSSTox_RID_75422
DSSTox_GSID_20189	SCHEMBL124486
C37H34N2Na2O9S3	CHEMBL3184128
DTXSID2020189	Erioglaucine (C.I. 42090)
AMY22374	Tox21_300516
AKOS037643360	NCGC00254363-01
Ammonium, ethyl(4-(p-(ethyl(m-sulfobenzyl)amino)-alpha-(o-sulfophenyl)benzylidene)-2,5-cyclohexadien-1-ylidene)(m-sulfobenzyl)-, hydroxide, inner salt, disodium salt	AS-15303
Dihydrogen (ethyl)(4-(4-(ethyl(3-sulphonatobenzyl)amino)-2-sulphonatobenzhydrylidene)cyclohexa-2,5-dien-1-ylidene)(3-sulphonatobenzyl)ammonium, disodium salt	N-Ethyl-N-4-4-ethyl(3-sulfophenyl)methylaminophenyl(2-sulfophenyl)methylene-2,5-cyclohexadien-1-ylidene-3-sulfobenzenemethanaminium Inner Salt Sodium Salt
O838	CAS-3844-45-9
B0790	F0147
FT-0625694	C19352
D88693	Q420093
UNII-H3R47K3TBD component SGHZXLIDFTYFHQ-UHFFFAOYSA-L	N-Ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfobenzeneme- thanaminium hydroxide, inner salt, disodium salt
N-ethyl-N-4-4-ethyl(3-sulfophenyl)methylaminophenyl(2-sulfophenyl)methylene-2,5-cyclohexadien-1-ylidene-3-sulfo-Benzenemethanaminium inner salt, disodium salt	sodium 2-((E)-(4-(ethyl(3-sulfonatobenzyl)amino)phenyl)((E)-4-(ethyl(3-sulfonatobenzyl)iminio)cyclohexa-2,5-dienylidene)methyl)benzenesulfonate

Experimental Data

Brilliant Blue FCF

Species	Dose	Unit	Control(Avg days)	Treatment(Avg days)	Avg/Med Lifespan Change(%)	Significant	PubMed	Avg/Med Lifespan Change tab
Drosophila melanogaster	0.000005000000000	mg/mL	57.530000000000000	63.510000000000000	0.100000000000000	S	31137639	Active
Drosophila melanogaster	0.000000500000000	mg/mL	57.530000000000000	58.690000000000000	0.020000000000000	NS	31137639	Inactive
Drosophila melanogaster	0.000500000000000	mg/mL	57.530000000000000	65.100000000000000	0.130000000000000	S	31137639	Active
Drosophila melanogaster	0.050000000000000	mg/mL	57.530000000000000	62.470000000000000	0.090000000000000	NS	31137639	Inactive
Drosophila melanogaster	0.000050000000000	mg/mL	57.530000000000000	62.660000000000000	0.090000000000000	S	31137639	Active
Drosophila melanogaster	0.005000000000000	mg/mL	57.530000000000000	61.070000000000000	0.060000000000000	NS	31137639	Inactive

Experimental Data Visualization

Brilliant Blue FCF

Statistics Data

Brilliant Blue FCF

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Drosophila melanogaster	0.130000000000000		1	6

Statistics Data Visualization

Brilliant Blue FCF

Compound Name:

Brilliant Blue FCF

Compound CID:

19700

Synonyms:

Brilliant Blue FCF 3844-45-9 Acid Blue 9 Brilliant Blue FD&C Blue No. 1 More...

Iupac Name:

disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate

InChI:

InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2

InChIKey:

SGHZXLIDFTYFHQ-UHFFFAOYSA-L

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=CC=CC=C5S(=O)(=O)[O-].[Na+].[Na+]

Isomeric 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=CC=CC=C5S(=O)(=O)[O-].[Na+].[Na+]

Molecular Weight:

792.9

Molecular Formula:

C37H34N2Na2O9S3

Molecular Weight:

792.9

Molecular Formula:

C37H34N2Na2O9S3

Hydrogen Bond Donor Count:

0

Hydrogen Bond Acceptor Count:

10

Rotatable Bond Count:

9

Heavy Atom Count:

53

Complexity:

1510

Brilliant Blue FCF

3844-45-9

Acid Blue 9

Brilliant Blue

FD&C Blue No. 1

Erioglaucine disodium salt

Blue 1206

Alphazurine FG

FD and C Blue No. 1

FD & C Blue no. 1

Food Blue No. 1

Dolkwal Brilliant Blue

Acid Sky Blue A

Food Blue 1

C.I. ACID BLUE 9, DISODIUM SALT

UNII-PPQ093M8HR

Usacert Blue No. 1

C.I. Food Blue 2

Hexacol Brilliant Blue A

Brilliant Blue FCF supra

1206 Blue

Canacert Brilliant Blue FCF

MFCD00012141

PPQ093M8HR

FD&C Blue 1

Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, hydroxide, inner salt, disodium salt

CHEBI:82411

Acid Blue 9;FD&C Blue No. 1;E133

FD&C blue No.1

Fenazo Blue XI

Merantine Blue EG

Benzenemethanaminium, N-ethyl-N-4-4-ethyl(3-sulfophenyl)methylaminophenyl(2-sulfophenyl)methylene-2,5-cyclohexadien-1-ylidene-3-sulfo-, inner salt, disodium salt

Cosmetic Blue Lake

blue no. 1

Japan Blue No. 1

Intracid Pure Blue L

FDC Blue No. 1

Erioglaucin A

Food Blue Dye No. 1

Modr Kysela 9 Czech

Aizen Food Blue No. 2

CCRIS 97

Modr Kysela 9

Blue FCF

Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt, disodium salt

disodium 2-{(Z)-(4-{ethyl(3-sulfonatophenyl)methylamino}phenyl)(4Z)-4-{ethyl(3-sulfonatophenyl)methyliminio}cyclohexa-2,5-dien-1-ylidenemethyl}benzenesulfonate

Brilliant Blue FCF

3844-45-9

Acid Blue 9

Brilliant Blue

FD&C Blue No. 1

More...