Glycine, N,N'-((3-oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, tetrasodium salt

Base Information

• Chemical Name: Glycine, N,N'-((3-oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, tetrasodium salt
• CAS No.: 62698-54-8
• Molecular Formula: C32H32N2O12
• Molecular Weight: 636.6027
• Hs Code.: 29329900
• DSSTox Substance ID: DTXSID30889800
• Nikkaji Number: J261.079E
• Mol file: 62698-54-8.mol

Synonyms:62698-54-8;tetrasodium;2-[[5-[1-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxylatomethyl)amino]acetate;Glycine, N,N'-((3-oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, sodium salt (1:4);Glycine, N,N'-((3-oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, tetrasodium salt;Glycine, N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, tetrasodium salt;Glycine, N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, sodium salt (1:4);DTXSID30889800;AKOS025295566;CS-0326809;D89242;o-Cresolphthalexon, water soluble Phthalein complexone sodium salt;Sodium 2,2',2'',2'''-((((3-oxo-1,3-dihydroisobenzofuran-1,1-diyl)bis(6-hydroxy-5-methyl-3,1-phenylene))bis(methylene))bis(azanetriyl))tetraacetate;Sodium2,2',2'',2'''-((((3-oxo-1,3-dihydroisobenzofuran-1,1-diyl)bis(2-hydroxy-3-methyl-5,1-phenylene))bis(methylene))bis(azanetriyl))tetraacetate

Chemical Property of Glycine, N,N'-((3-oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, tetrasodium salt

Chemical Property:

• Vapor Pressure: 3.5E-34mmHg at 25°C
• Boiling Point: 892.1°Cat760mmHg
• Flash Point: 493.4°C
• PSA: 233.76000
• Density: 1.515g/cm³
• LogP: -3.21950
• Storage Temp.: Store at RT.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 10
• Exact Mass: 724.12330146
• Heavy Atom Count: 50
• Complexity: 1030

Purity/Quality:

98%,99%, ^*data from raw suppliers

O-Cresolphthalein complexone sodium salt ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1O)CN(CC(=O)[O-])CC(=O)[O-])C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4)C)O)CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• Uses: The sodium salt of o-?Cresolphthalein Complexone (C782150) which is an indicator used to identify calcium in solution, turning the solution a violet color. Used in smooth muscle cell analysis.