Trisodium 1-(4-((4-(bis(2-((2-chloroethyl)sulphonyl)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)-4,5-dihydro-5-oxo-4-((2-sulphonatophenyl)azo)-1H-pyrazole-3-carboxylate

Base Information

• Chemical Name: Trisodium 1-(4-((4-(bis(2-((2-chloroethyl)sulphonyl)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)-4,5-dihydro-5-oxo-4-((2-sulphonatophenyl)azo)-1H-pyrazole-3-carboxylate
• CAS No.: 114492-67-0
• Molecular Formula: C27H28 Cl3 N9 O13 S4 . x Na
• Molecular Weight: 943.16455
• European Community (EC) Number: 301-401-6
• Nikkaji Number: J367.907A
• Mol file: 114492-67-0.mol

Synonyms:EINECS 301-401-6;94021-08-6;Trisodium 1-(4-((4-(bis(2-((2-chloroethyl)sulphonyl)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)-4,5-dihydro-5-oxo-4-((2-sulphonatophenyl)azo)-1H-pyrazole-3-carboxylate;114492-67-0;1H-Pyrazole-3-carboxylic acid, 1-(4-((4-(bis(2-((2-chloroethyl)sulfonyl)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)-4,5-dihydro-5-oxo-4-((2-sulfophenyl)azo)-, sodium salt;1H-Pyrazole-3-carboxylic acid, 1-(4-((4-(bis(2-((2-chloroethyl)sulfonyl)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)-4,5-dihydro-5-oxo-4-(2-(2-sulfophenyl)diazenyl)-, sodium salt (1:?);TRISODIUM 1-[4-[[4-[BIS[2-[(2-CHLOROETHYL)SULPHONYL]ETHYL]AMINO]-6-CHLORO-1,3,5-TRIAZIN-2-YL]AMINO]-2-SULPHONATOPHENYL]-4,5-DIHYDRO-5-OXO-4-[(2-SULPHONATOPHENYL)AZO]-1H-PYRAZOLE-3-CARBOXYLATE;1H-Pyrazole-3-carboxylic acid, 1-[4-[[4-[bis[2-[(2-chloroethyl)sulfonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-4,5-dihydro-5-oxo-4-[(2-sulfophenyl)azo]-, sodium salt;C27H28Cl3N9O13S4.xNa;C27H28Cl3N9O13S4.3Na;C27-H28-Cl3-N9-O13-S4.3Na;C27-H28-Cl3-N9-O13-S4.x-Na;1-[4-[[4-[Bis[2-[(2-chloroethyl)sulfonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-(sodiosulfo)phenyl]-4,5-dihydro-5-oxo-4-[[2-(sodiosulfo)phenyl]azo]-1H-pyrazole-3-carboxylic acid sodium salt;1H-Pyrazole-3-carboxylic acid, 1-[4-[[4-[bis[2-[(2-chloroethyl)sulfonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-4,5-dihydro-5-oxo-4-[(2-sulfophenyl)azo]-, trisodium salt

Chemical Property of Trisodium 1-(4-((4-(bis(2-((2-chloroethyl)sulphonyl)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)-4,5-dihydro-5-oxo-4-((2-sulphonatophenyl)azo)-1H-pyrazole-3-carboxylate

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 16
• Exact Mass: 984.921333
• Heavy Atom Count: 59
• Complexity: 1840

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl)N(CCS(=O)(=O)CCCl)CCS(=O)(=O)CCCl)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]