RefChem:434864

sodium 3-hydroxy-4-[[3-methyl-1-[4-[[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]carbamoylamino]phenyl]-5-oxo-4H-pyrazol-4-yl]diazenyl]-7-nitronaphthalene-1-sulfonate

Also Known As: 1-Naphthalenesulfonic acid, 4-((1-(4-((((4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)amino)carbonyl)amino)phenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-3-hydroxy-7-nitro-, monosodium salt|1-Naphthalenesulfonic acid, 4-(2-(1-(4-((((4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)amino)carbonyl)amino)phenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-3-hydroxy-7-nitro-, sodium salt (1:1)|1-Naphthalenesulfonic acid, 4-[[1-[4-[[[[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]amino]carbonyl]amino]phenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-3-hydroxy-7-nitro-, monosodium salt|1-Naphthalenesulfonic acid, 3-hydroxy-4-((1-(4-(3-(4-(5-hydroxy-3-methylpyrazol-1-yl)phenyl)ureido)phenyl)-5-hydroxy-3-methylpyrazol-4-yl)azo)-7-nitro-,sodium salt|1-Naphthalenesulfonic acid, 4-[2-[1-[4-[[[[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]amino]carbonyl]amino]phenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-3-hydroxy-7-nitro-, sodium salt (1:1)|4-[2-[1-[4-[[[[4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]amino]carbonyl]amino]phenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-3-hydroxy-7-nitro-1-naphthalenesulfonic acid sodium (1:1)|Sodium 4-((1-(4-((((4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)amino)carbonyl)amino)phenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-3-hydroxy-7-nitronaphthalene-1-sulphonate|Sodium 4-[[1-[4-[[[[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]amino]carbonyl]amino]phenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-3-hydroxy-7-nitronaphthalene-1-sulphonate|sodium4-[[1-[4-[[[[4- phenyl]amino]carbonyl]amino]phenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-3-hydroxy-7-nitronaphthalene-1-sulphonate

Molecular Formula	C31H24N9NaO9S
Molecular Weight	721.13153 g/mol
LogP	1.9933
Topological Polar Surface Area	263.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	13
Rotatable Bonds	6
Exact Mass	721.13153
Monoisotopic Mass	721.13153
Heavy Atoms	51
Complexity	1530.0

Chemical Identifiers

CAS Number	68258-99-1
SMILES	CC1=NN(C(=O)C1)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)N4C(=O)C(C(=N4)C)N=NC5=C6C=CC(=CC6=C(C=C5O)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]
InChIKey	QGTVPHDLNMATTC-UHFFFAOYSA-M