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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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Reference substances

Reference substances

Currently viewing:
IUPAC name:
potassium sodium 2-{[4-({4-[(4-amino-9,10-dioxo-3-sulfonato-9,10-dihydroanthracen-1-yl)amino]cyclohexyl}amino)-6-fluoro-1,3,5-triazin-2-yl]amino}benzene-1,4-disulfonate

Inventory

EC number:
277-179-9
EC name:
2-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino]cyclohexyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]benzene-1,4-disulphonic acid, potassium sodium salt
CAS number:
72987-16-7
CAS number:
72987-16-7
Synonyms
Names:
Identifier:
other: Molecular formula
C29H26FN7O11S3xNa

Molecular and structural information

Molecular formula:
C29 H26 F N7 O11 S3 . x K . x Na
C29H(26-x-y)FK(x)N7Na(y)O11S3
Molecular weight:
>= 760 - <= 878
SMILES notation:
[Na+].[K+].NC1=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C(NC2CCC(CC2)NC2=NC(F)=NC(NC3=CC(=CC=C3S([O-])(=O)=O)S([O-])(=O)=O)=N2)C=C1S([O-])(=O)=O
Structural formula:
Chemical structure

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