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Details

Stereochemistry ACHIRAL
Molecular Formula C27H31N2O7S2.Na
Molecular Weight 582.664
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PATENT BLUE V SODIUM

SMILES

[Na+].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=PMLFOMWMYRKZRF-UHFFFAOYSA-M
InChI=1S/C27H32N2O7S2.Na/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);/q;+1/p-1

HIDE SMILES / InChI

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

Molecular Formula C27H31N2O7S2
Molecular Weight 559.674
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:29:53 GMT 2023
Edited
by admin
on Sat Dec 16 08:29:53 GMT 2023
Record UNII
9ZL680Q9Z5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PATENT BLUE V SODIUM
Common Name English
C.I. ACID BLUE 3, MONOSODIUM SALT
Common Name English
ETHANAMINIUM, N-(4-((4-(DIETHYLAMINO)PHENYL)(5-HYDROXY-2,4-DISULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-N-ETHYL-, INNER SALT, SODIUM SALT (1:1)
Systematic Name English
C.I. 42051:2
Code English
PATENT BLUE SODIUM
Common Name English
C.I. FOOD BLUE 5:2
Common Name English
Code System Code Type Description
SMS_ID
100000136458
Created by admin on Sat Dec 16 08:29:53 GMT 2023 , Edited by admin on Sat Dec 16 08:29:53 GMT 2023
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FDA UNII
9ZL680Q9Z5
Created by admin on Sat Dec 16 08:29:53 GMT 2023 , Edited by admin on Sat Dec 16 08:29:53 GMT 2023
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EPA CompTox
DTXSID50942380
Created by admin on Sat Dec 16 08:29:53 GMT 2023 , Edited by admin on Sat Dec 16 08:29:53 GMT 2023
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DRUG BANK
DBSALT002622
Created by admin on Sat Dec 16 08:29:53 GMT 2023 , Edited by admin on Sat Dec 16 08:29:53 GMT 2023
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CAS
20262-76-4
Created by admin on Sat Dec 16 08:29:53 GMT 2023 , Edited by admin on Sat Dec 16 08:29:53 GMT 2023
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PUBCHEM
9916325
Created by admin on Sat Dec 16 08:29:53 GMT 2023 , Edited by admin on Sat Dec 16 08:29:53 GMT 2023
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