tetrasodium 2-[[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate

Modify Date: 2025-08-25 20:02:01

tetrasodium 2-[[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate structure	Common Name	tetrasodium 2-[[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate
	CAS Number	68238-92-6	Molecular Weight	989.15100
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₃₁H₁₅ClF₂N₆Na₄O₁₄S₄	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	tetrasodium,(3Z)-5-[[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzoyl]amino]-3-[(1,5-disulfonatonaphthalen-2-yl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate

Molecular Formula	C₃₁H₁₅ClF₂N₆Na₄O₁₄S₄
Molecular Weight	989.15100
Exact Mass	987.87800
PSA	377.41000
LogP	7.23730
InChIKey	KFZGCQOLFVUWBZ-UHFFFAOYSA-J
SMILES	O=C(Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc4c(S(=O)(=O)[O-])cccc4c3S(=O)(=O)[O-])c(O)c12)c1cccc(Nc2nc(F)nc(F)c2Cl)c1.[Na+].[Na+].[Na+].[Na+]

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