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Details

Stereochemistry ACHIRAL
Molecular Formula C32H18Cl2N6O14S4.4Na
Molecular Weight 1001.642
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of AFRIDOL BLUE TETRASODIUM

SMILES

[Na+].[Na+].[Na+].[Na+].NC1=CC(=CC2=CC(=C(\N=N\C3=CC=C(C=C3Cl)C4=CC=C(\N=N\C5=C(C=C6C=C(C=C(N)C6=C5O)S([O-])(=O)=O)S([O-])(=O)=O)C(Cl)=C4)C(O)=C12)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=BPSRZVMTFBQXSI-GPTZEZBUSA-J
InChI=1S/C32H22Cl2N6O14S4.4Na/c33-19-7-13(1-3-23(19)37-39-29-25(57(49,50)51)9-15-5-17(55(43,44)45)11-21(35)27(15)31(29)41)14-2-4-24(20(34)8-14)38-40-30-26(58(52,53)54)10-16-6-18(56(46,47)48)12-22(36)28(16)32(30)42;;;;/h1-12,41-42H,35-36H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37+,40-38+;;;;

HIDE SMILES / InChI

Molecular Formula C32H18Cl2N6O14S4
Molecular Weight 909.683
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 04:49:36 GMT 2023
Edited
by admin
on Sat Dec 16 04:49:36 GMT 2023
Record UNII
UDE8J020KY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AFRIDOL BLUE TETRASODIUM
Common Name English
AFRIDOL BLUE TETRASODIUM SALT
Common Name English
2,7-NAPHTHALENEDISULFONIC ACID, 3,3'-((3,3'-DICHLORO-4,4'-BIPHENYLYLENE)BIS(AZO))BIS(5-AMINO-4-HYDROXY-, TETRASODIUM SALT
Systematic Name English
Code System Code Type Description
FDA UNII
UDE8J020KY
Created by admin on Sat Dec 16 04:49:37 GMT 2023 , Edited by admin on Sat Dec 16 04:49:37 GMT 2023
PRIMARY
CAS
47897-65-4
Created by admin on Sat Dec 16 04:49:37 GMT 2023 , Edited by admin on Sat Dec 16 04:49:37 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE