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Details

Stereochemistry ACHIRAL
Molecular Formula C37H34N2O9S3.2Na
Molecular Weight 792.848
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DISODIUM N-ETHYL-N-4-((4-(ETHYL((3-SULFOPHENYL)METHYL)AMINO)PHENYL)(2-SULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-3-SULFOBENZENEMETHANAMINIUM

SMILES

[Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C2=CC=C(C=C2)C(=C3C=CC(C=C3)=[N+](CC)CC4=CC=CC(=C4)S([O-])(=O)=O)C5=C(C=CC=C5)S([O-])(=O)=O

InChI

InChIKey=SGHZXLIDFTYFHQ-UHFFFAOYSA-L
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

HIDE SMILES / InChI

Molecular Formula C37H34N2O9S3
Molecular Weight 746.869
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Brilliant Blue is an organic compound classified as a blue triarylmethane dye. It is coal tar derivative food dye; used as the di-NH4 or di-Na salts. Coloring agent. Brilliant Blue FCF, has been used in foods in the US since 1929. This color adds a distinctive, bright blue hue to beverages, beverage powders, dairy products, baked goods, dessert powders, confections, condiments, icings, syrups, jams, jellies, marmalades, liqueurs, extracts, dairy fats and oil, meat, seafood, snacks, dry mixes and seasonings, fruit preparations, convenient food, and flavors. Both the diammonium and disodium salts of FD&C Blue No. 1 are used. The disodium salt is used in foods, while the diammonium salt has limited usage in drugs and cosmetics.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Inactive ingredient
ICE COLD ANALGESIC GEL

Approved Use

for the temporary relief of minor aches and pains in muscles and joints associated with simple backache, strains, sprains, sports injuries, arthritis, bruises

Launch Date

1.42594566E12
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:00:52 UTC 2023
Edited
by admin
on Fri Dec 15 16:00:52 UTC 2023
Record UNII
PPQ093M8HR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DISODIUM N-ETHYL-N-4-((4-(ETHYL((3-SULFOPHENYL)METHYL)AMINO)PHENYL)(2-SULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-3-SULFOBENZENEMETHANAMINIUM
Common Name English
DISODIUM SALT OF ETHYL(4-(P-(ETHYL(M-SULFOBENZYL)AMINO)-(ALPHA)-(O-SULFOPHENYL) BENZYLIDENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)(M-SULFOBENZYL) AMMONIUM HYDROXIDE INNER SALT
Common Name English
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)
Systematic Name English
Code System Code Type Description
CAS
3844-45-9
Created by admin on Fri Dec 15 16:00:52 UTC 2023 , Edited by admin on Fri Dec 15 16:00:52 UTC 2023
PRIMARY
RXCUI
1807340
Created by admin on Fri Dec 15 16:00:52 UTC 2023 , Edited by admin on Fri Dec 15 16:00:52 UTC 2023
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PUBCHEM
19700
Created by admin on Fri Dec 15 16:00:52 UTC 2023 , Edited by admin on Fri Dec 15 16:00:52 UTC 2023
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ECHA (EC/EINECS)
223-339-8
Created by admin on Fri Dec 15 16:00:52 UTC 2023 , Edited by admin on Fri Dec 15 16:00:52 UTC 2023
PRIMARY
DAILYMED
PPQ093M8HR
Created by admin on Fri Dec 15 16:00:52 UTC 2023 , Edited by admin on Fri Dec 15 16:00:52 UTC 2023
PRIMARY
FDA UNII
PPQ093M8HR
Created by admin on Fri Dec 15 16:00:52 UTC 2023 , Edited by admin on Fri Dec 15 16:00:52 UTC 2023
PRIMARY
HSDB
7972
Created by admin on Fri Dec 15 16:00:52 UTC 2023 , Edited by admin on Fri Dec 15 16:00:52 UTC 2023
PRIMARY