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Details

Stereochemistry ACHIRAL
Molecular Formula C47H34N14O6S.2Na
Molecular Weight 968.908
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 5
Charge 0

SHOW SMILES / InChI
Structure of DIRECT BROWN 25

SMILES

[Na+].[Na+].NC1=CC=C(\N=N\C2=CC(=CC=C2)\N=N\C3=C(N)C(N)=CC=C3\N=N\C4=C5C=CC=CC5=C(\N=N\C6=CC=C(C=C6)C7=CC=C(C=C7)\N=N\C8=CC=C(O)C(=C8)C([O-])=O)C(=C4)S([O-])(=O)=O)C(N)=C1

InChI

InChIKey=LYLOTUQQMDFHHJ-JBBGMNHDSA-L
InChI=1S/C47H36N14O6S.2Na/c48-28-12-19-39(38(50)22-28)57-55-31-4-3-5-32(23-31)56-61-46-40(20-18-37(49)44(46)51)58-59-41-25-43(68(65,66)67)45(35-7-2-1-6-34(35)41)60-53-30-15-10-27(11-16-30)26-8-13-29(14-9-26)52-54-33-17-21-42(62)36(24-33)47(63)64;;/h1-25,62H,48-51H2,(H,63,64)(H,65,66,67);;/q;2*+1/p-2/b54-52+,57-55+,59-58+,60-53+,61-56+;;

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 C47H34N14O6S
Molecular Weight 922.928
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 5
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:03:36 GMT 2023
Edited
by admin
on Sat Dec 16 11:03:36 GMT 2023
Record UNII
77QS9AIW2V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIRECT BROWN 25
Common Name English
C.I. 36030
Code English
FIXANOL CATECHINE GR
Brand Name English
BENZOIC ACID, 5-((4'-((4-((DIAMINO((3-((2,4-DIAMINOPHENYL)AZO)PHENYL)AZO)PHENYL)AZO)SULFO-1-NAPHTHALENYL)AZO)(1,1'-BIPHENYL)-4-YL)AZO)-2-HYDROXY-, DISODIUM SALT
Systematic Name English
C.I. DIRECT BROWN 25
Common Name English
DISODIUM 5-((4'-((4-((DIAMINO((3-((2,4-DIAMINOPHENYL)AZO)PHENYL)AZO)PHENYL)AZO)SULPHONATO-1-NAPHTHYL)AZO)(1,1'-BIPHENYL)-4-YL)AZO)SALICYLATE
Systematic Name English
CI 36030
Common Name English
BENZANIL CATECHINE G
Brand Name English
Code System Code Type Description
FDA UNII
77QS9AIW2V
Created by admin on Sat Dec 16 11:03:36 GMT 2023 , Edited by admin on Sat Dec 16 11:03:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID601023837
Created by admin on Sat Dec 16 11:03:36 GMT 2023 , Edited by admin on Sat Dec 16 11:03:36 GMT 2023
PRIMARY
ECHA (EC/EINECS)
251-466-9
Created by admin on Sat Dec 16 11:03:36 GMT 2023 , Edited by admin on Sat Dec 16 11:03:36 GMT 2023
PRIMARY
CAS
33363-87-0
Created by admin on Sat Dec 16 11:03:36 GMT 2023 , Edited by admin on Sat Dec 16 11:03:36 GMT 2023
PRIMARY