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

Details

Stereochemistry ACHIRAL
Molecular Formula C34H22N4O16S4.4Na
Molecular Weight 962.775
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of DIRECT BLUE 25

SMILES

[Na+].[Na+].[Na+].[Na+].CC1=CC(=CC=C1\N=N\C2=C(C=C3C=C(C=C(O)C3=C2O)S([O-])(=O)=O)S([O-])(=O)=O)C4=CC(C)=C(C=C4)\N=N\C5=C(C=C6C=C(C=C(O)C6=C5O)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=JUEBRKPPGMULSU-OTGYWJPESA-J
InChI=1S/C34H26N4O16S4.4Na/c1-15-7-17(3-5-23(15)35-37-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-25(39)29(19)33(31)41)18-4-6-24(16(2)8-18)36-38-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-26(40)30(20)34(32)42;;;;/h3-14,39-42H,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b37-35+,38-36+;;;;

HIDE SMILES / InChI

Molecular Formula C34H22N4O16S4
Molecular Weight 870.816
Charge -4
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:22:40 GMT 2023
Edited
by admin
on Sat Dec 16 08:22:40 GMT 2023
Record UNII
015UCP79S9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIRECT BLUE 25
Common Name English
CI 23790
Common Name English
CI DIRECT BLUE 25, TETRASODIUM SALT
Common Name English
BENZO NEW BLUE 5B
Systematic Name English
C.I. DIRECT BLUE 25, TETRASODIUM SALT
Common Name English
C.I. DIRECT BLUE 25
Common Name English
C.I. 23790
Common Name English
2,7-NAPHTHALENEDISULFONIC ACID, 3,3'-((3,3'-DIMETHYL(1,1'-BIPHENYL)-4,4'-DIYL)BIS(2,1-DIAZENEDIYL))BIS(4,5-DIHYDROXY-, SODIUM SALT (1:4)
Systematic Name English
BENZO NEW BLUE 5BFS
Common Name English
NSC-23347
Code English
BENZO NEW BLUE 5B-CF
Common Name English
2,7-NAPHTHALENEDISULFONIC ACID, 3,3'-((3,3'-DIMETHYL(1,1'-BIPHENYL)-4,4'-DIYL)BIS(AZO))BIS(4,5-DIHYDROXY-, TETRASODIUM SALT
Systematic Name English
CI DIRECT BLUE 25
Common Name English
BENZO NEW BLUE 5BS
Common Name English
Code System Code Type Description
FDA UNII
015UCP79S9
Created by admin on Sat Dec 16 08:22:41 GMT 2023 , Edited by admin on Sat Dec 16 08:22:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID1025196
Created by admin on Sat Dec 16 08:22:41 GMT 2023 , Edited by admin on Sat Dec 16 08:22:41 GMT 2023
PRIMARY
NSC
23347
Created by admin on Sat Dec 16 08:22:41 GMT 2023 , Edited by admin on Sat Dec 16 08:22:41 GMT 2023
PRIMARY
ECHA (EC/EINECS)
218-432-5
Created by admin on Sat Dec 16 08:22:41 GMT 2023 , Edited by admin on Sat Dec 16 08:22:41 GMT 2023
PRIMARY
CAS
2150-54-1
Created by admin on Sat Dec 16 08:22:41 GMT 2023 , Edited by admin on Sat Dec 16 08:22:41 GMT 2023
PRIMARY