DISODIUM N-ETHYL-N-4-((4-(ETHYL((3-SULFOPHENYL)METHYL)AMINO)PHENYL)(2-SULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-3-SULFOBENZENEMETHANAMINIUM

First approved in 2013

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

Structure Search

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

Description
Sources: https://www.iacmcolor.org/safety-of-color/safety-synthetic-certified-colors/blue-1/ | http://www.thegoodscentscompany.com/data/rw1131711.html

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

Condition	Modality	Targets	Highest Phase	Product
Pain 614 Sources: https://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=f3f2cf5e-7404-4be0-8e0f-a29b1cb2249c	Inactive ingredient		Approved 8429	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 2015

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:00:52 GMT 2023` Edited by `admin` on `Fri Dec 15 16:00:52 GMT 2023`
Record UNII	PPQ093M8HR
Record Status	`Validated (UNII)`
Record Version

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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