U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C32H16N6O16S4.2Cu.4Na
Molecular Weight 1087.811
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of DIRECT BLUE 218

SMILES

[Na+].[Na+].[Na+].[Na+].[Cu++].[Cu++].NC1=CC(=CC2=C1C([O-])=C(\N=N/C3=C([O-])C=C(C=C3)C4=CC([O-])=C(C=C4)\N=N/C5=C([O-])C6=C(C=C(C=C6N)S([O-])(=O)=O)C=C5S([O-])(=O)=O)C(=C2)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=GWEZPAIPHHUMTI-QTSXORJLSA-F
InChI=1S/C32H24N6O16S4.2Cu.4Na/c33-19-11-17(55(43,44)45)5-15-9-25(57(49,50)51)29(31(41)27(15)19)37-35-21-3-1-13(7-23(21)39)14-2-4-22(24(40)8-14)36-38-30-26(58(52,53)54)10-16-6-18(56(46,47)48)12-20(34)28(16)32(30)42;;;;;;/h1-12,39-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;;/q;2*+2;4*+1/p-8/b37-35-,38-36-;;;;;;

HIDE SMILES / InChI

Approval Year

Name Type Language
DIRECT BLUE 218
HSDB  
Common Name English
TETRASODIUM (.MU.-((3,3'-((3,3'-DIHYDROXY(1,1'-BIPHENYL)-4,4'- DIYL)BIS(AZO))BIS(5-AMINO-4-HYDROXYNAPHTHALENE-2,7- DISULPHONATO))(8-)))DICUPRATE(4-)
Common Name English
C.I. DIRECT BLUE 218
Common Name English
CI 24401
Common Name English
CUPRATE(4-), (.MU.-((3,3'-((3,3'-DIHYDROXY(1,1'-BIPHENYL)-4,4'-DIYL)BIS(AZO))BIS(5-AMINO-4-HYDROXY-2,7-NAPHTHALENEDISULFONATO))(8-)))DI-, TETRASODIUM
Systematic Name English
DIRECT BLUE 218 [HSDB]
Common Name English
(3,3'-((3,3'-DIHYDROXY-1,1'-BIPHENYL-4,4'- DIYL)BIS(AZO)BIS(5-AMINO-2,7-NAPHTHALENEDISULFONATO- (O4,O3)))DICOPPER, TETRASODIUM SALT
Common Name English
2,7-NAPHTHALENEDISULFONIC ACID, 3,3'-((3,3'-DIHYDROXY(1,1'-BIPHENYL)-4,4'-DIYL)BIS(AZO))BIS(5-AMINO-4-HYDROXY-, COPPER COMPLEX
Systematic Name English
CUPRATE(4-), (.MU.-((3,3'-((3,3'-DI(HYDROXY-.KAPPA.O)(1,1'-BIPHENYL)-4,4'-DIYL)BIS(AZO-.KAPPA.N1))BIS(5-AMINO-4-(HYDROXY-.KAPPA.O)-2,7-NAPHTHALENEDISULFONATO))(8-)))DI-, TETRASODIUM
Systematic Name English
CUPRATE(4-), (.MU.-((3,3'-((3,3'-DI(HYDROXY-.KAPPA.O)(1,1'-BIPHENYL)-4,4'-DIYL)BIS(2,1-DIAZENEDIYL-.KAPPA.N1))BIS(5-AMINO-4-(HYDROXY-.KAPPA.O)-2,7-NAPHTHALENEDISULFONATO))(8-)))DI-, SODIUM (1:4)
Systematic Name English
COPPER, (TETRAHYDROGEN-3,3'-((3,3'-DIHYDROXY-4,4'-BIPHENYLYLENE)BIS(AZO))BIS(5-AMINO-4-HYDROXY-2,7-NAPHTHALENEDISULFONATO)(4-))DI-, TETRASODIUM SALT
Systematic Name English
2,7-NAPHTHALENEDISULFONIC ACID, 3,3'((3,3'-DIHYDROXY(1,1'- BIPHENYL)-4,4'-DIYL)BIS(AZO)BIS(5-AMINO-4-HYDROXY-, SODIUM SALT, COPPER COMPLEX
Systematic Name English
CI DIRECT BLUE 218
Common Name English
AMANIL SUPRA BLUE 9GL
Brand Name English
CARTA BLUE VP
Brand Name English
Code System Code Type Description
EPA CompTox
DTXSID2020187
Created by admin on Sat Dec 16 08:52:41 GMT 2023 , Edited by admin on Sat Dec 16 08:52:41 GMT 2023
PRIMARY
CAS
28407-37-6
Created by admin on Sat Dec 16 08:52:41 GMT 2023 , Edited by admin on Sat Dec 16 08:52:41 GMT 2023
PRIMARY
HSDB
4223
Created by admin on Sat Dec 16 08:52:41 GMT 2023 , Edited by admin on Sat Dec 16 08:52:41 GMT 2023
PRIMARY
FDA UNII
RR3V5FL20N
Created by admin on Sat Dec 16 08:52:41 GMT 2023 , Edited by admin on Sat Dec 16 08:52:41 GMT 2023
PRIMARY
ECHA (EC/EINECS)
249-008-8
Created by admin on Sat Dec 16 08:52:41 GMT 2023 , Edited by admin on Sat Dec 16 08:52:41 GMT 2023
PRIMARY