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Details

Stereochemistry ACHIRAL
Molecular Formula C27H32N2O7S2
Molecular Weight 560.682
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PATENT BLUE V FREE ACID

SMILES

CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(C=C2)=[N+](CC)CC)C3=C(C=C(C(O)=C3)S(O)(=O)=O)S([O-])(=O)=O

InChI

InChIKey=DHAHKSQXIXFZJB-UHFFFAOYSA-N
InChI=1S/C27H32N2O7S2/c1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33/h9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36)

HIDE SMILES / InChI
Patent Blue V (E-131) is a synthetic dye used as a food coloring. In Europe, it is used in beverages, preserves of red fruits, desserts, confectionary. In medicine, Patent Blue V is used as a contrast agent for visualizing lymphatic vessels. Patent Blue V is also used in dentistry in a disclosing tablet to demonstrate the presence of plaque on teeth.

Approval Year

Name Type Language
PATENT BLUE V FREE ACID
Common Name English
2-((4-(DIETHYLAMINO)PHENYL)(4-(DIETHYLIMINIO)-2,5-CYCLOHEXADIEN-1-YLIDENE)METHYL)-4-HYDROXY-5-SULFOBENZENESULFONATE
Systematic Name English
2-((4-(DIETHYLAMINO)PHENYL)-(4-DIETHYLAZANIUMYLIDENECYCLOHEXA-2,5-DIEN-1-YLIDENE)METHYL)-4-HYDROXY-5-SULFOBENZENESULFONATE
Systematic Name English
ETHANAMINIUM, N-(4-((4-(DIETHYLAMINO)PHENYL)(5-HYDROXY-2,4-DISULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-N-ETHYL-, INNER SALT
Systematic Name English
Code System Code Type Description
CAS
25305-77-5
Created by admin on Sat Dec 16 05:40:56 GMT 2023 , Edited by admin on Sat Dec 16 05:40:56 GMT 2023
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FDA UNII
D4RJJ6R97N
Created by admin on Sat Dec 16 05:40:56 GMT 2023 , Edited by admin on Sat Dec 16 05:40:56 GMT 2023
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EPA CompTox
DTXSID90892274
Created by admin on Sat Dec 16 05:40:56 GMT 2023 , Edited by admin on Sat Dec 16 05:40:56 GMT 2023
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PUBCHEM
4010672
Created by admin on Sat Dec 16 05:40:56 GMT 2023 , Edited by admin on Sat Dec 16 05:40:56 GMT 2023
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