Registration Dossier

Reference substances

Reference substances

Currently viewing:

General information

Inventory

EC number:
268-516-0
EC name:
1,3-Benzenedisulfonic acid, 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-6-[[4-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-, trisodium salt
CAS number:
68110-27-0

No inventory information available

Reference substance information

IUPAC name:
trisodium 4-{[4-({3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl}amino)-6-chloro-1,3,5-triazin-2-yl]amino}-6-[(E)-2-(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazen-1-yl]benzene-1,3-disulfonate
Synonyms
Names:
1,3-Benzenedisulfonic acid, 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-6-[[4-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-, trisodium salt
Identifier:
CAS number
68110-27-0
trisodium 4-{[4-({3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfonatophenyl}amino)-6-chloro-1,3,5-triazin-2-yl]amino}-6-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]benzene-1,3-disulfonate

CAS information

CAS number:
68110-27-0

Molecular and structural information

Molecular formula:
C27H24Cl2N14O12S3.3Na
Molecular weight:
969.612
SMILES notation:
[Na+].[Na+].[Na+].O=C5/C(=C(/C)\C(\N=Nc4cc(Nc3nc(Nc2ccc(c(Nc1nc(N)nc(Cl)n1)c2)S([O-])(=O)=O)nc(Cl)n3)c(cc4S([O-])(=O)=O)S([O-])(=O)=O)=C(\O)N5CC)C(N)=O
InChl:
InChI=1/C27H24Cl2N14O12S3.3Na/c1-3-43-20(45)17(19(30)44)9(2)18(21(43)46)42-41-13-7-12(15(57(50,51)52)8-16(13)58(53,54)55)34-27-38-23(29)37-25(40-27)32-10-4-5-14(56(47,48)49)11(6-10)33-26-36-22(28)35-24(31)39-26;;;/h4-8,46H,3H2,1-2H3,(H2,30,44)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,31,33,35,36,39)(H2,32,34,37,38,40);;;/q;3*+1/p-3
Structural formula:
Chemical structure