Disodium 1-((4-(((2,6-dimethyl-4-pyrimidinyl)amino)sulphonyl)phenyl)amino)-3-phenylpropane-1,3-disulphonate

Base Information

• Chemical Name: Disodium 1-((4-(((2,6-dimethyl-4-pyrimidinyl)amino)sulphonyl)phenyl)amino)-3-phenylpropane-1,3-disulphonate
• CAS No.: 60662-80-8
• Molecular Formula: C21H24 N4 O8 S3 . 2 Na
• Molecular Weight: 600.59592
• European Community (EC) Number: 262-358-6
• DSSTox Substance ID: DTXSID301024248
• Mol file: 60662-80-8.mol

Synonyms:EINECS 262-358-6;60662-80-8;Disodium 1-((4-(((2,6-dimethyl-4-pyrimidinyl)amino)sulphonyl)phenyl)amino)-3-phenylpropane-1,3-disulphonate;DTXSID301024248

Chemical Property of Disodium 1-((4-(((2,6-dimethyl-4-pyrimidinyl)amino)sulphonyl)phenyl)amino)-3-phenylpropane-1,3-disulphonate

Chemical Property:

• PSA: 223.52000
• LogP: 5.24240
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 579.06539654
• Heavy Atom Count: 37
• Complexity: 1020

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(CC(C3=CC=CC=C3)S(=O)(=O)O)S(=O)(=O)O.[Na+]

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