Compound Summary

  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 Dosage Unit CG Lifespan(AVG/MED days) TG Lifespan(AVG/MED days) Lifespan Change(AVG/MED%) CG Lifespan(MAX days) TG Lifespan(MAX days) Lifespan Change(MAX%) Significant Strain Gender PubMed Active Label
Drosophila melanogaster 0.000005 mg/mL 57.53 63.51 0.1 S 31137639 Active
Drosophila melanogaster 0.0000005 mg/mL 57.53 58.69 0.02 NS 31137639 Inactive
Drosophila melanogaster 0.0005 mg/mL 57.53 65.1 0.13 S 31137639 Active
Drosophila melanogaster 0.05 mg/mL 57.53 62.47 0.09 NS 31137639 Inactive
Drosophila melanogaster 0.00005 mg/mL 57.53 62.66 0.09 S 31137639 Active
Drosophila melanogaster 0.005 mg/mL 57.53 61.07 0.06 NS 31137639 Inactive
  Experimental Data Visualization
 Brilliant Blue FCF

  Statistics Data
 Brilliant Blue FCF

Species Lifespan Change(AVG/MED%) Lifespan Change(MAX%) Count Reference Count Data point
Drosophila melanogaster 0.13 1 6
  Statistics Data Visualization
 Brilliant Blue FCF

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