Tetrasodium 4,4'-bis((4-((2-carbamoylethyl)(2-hydroxyethyl)amino)-6-(p-sulphonatoanilino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate
Basic information
- CAS
29637-52-3- Standard SMILES
NC(=O)CCN(CCO)c1nc(Nc2ccc(S(=O)(=O)[O-])cc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccc(S(=O)(=O)[O-])cc5)nc(N(CCO)CCC(N)=O)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.[Na+].[Na+].[Na+].[Na+]- InChIKey
BHMCWKHQTHVFST-UHFFFAOYSA-J- Molecular formula
- C42H42N14Na4O16S4
- Average molar mass
- 1,219.1 g/mol
- Monoisotopic mass
- 1,218.1376831
Names & identifiers
- Preferred name
- Tetrasodium 4,4'-bis((4-((2-carbamoylethyl)(2-hydroxyethyl)amino)-6-(p-sulphonatoanilino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate
- IUPAC
- tetrasodium;5-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
- English name
- tetrasodium 4,4'-bis[[4-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-6-(p-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
- Molecular formula
- C42H42N14Na4O16S4
- Molecular weight
- 1219.08616
Names & synonyms
DTXSID5029348Tetrasodium 4,4'-bis((4-((2-carbamoylethyl)(2-hydroxyethyl)amino)-6-(p-sulphonatoanilino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonateTetrasodium 5-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl}amino)-2-{2-[4-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]ethen-1-yl}benzene-1-sulfonateFLUORESCENTBRIGHTENER235tetrasodium 4,4'-bis[[4-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-6-(p-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate2,2'-Stilbenedisulfonic acid, 4,4'-bis[[4-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-6- (p-sulfoanilino)-S-triazin-2-yl]amino]-, tetrasodium salt4,4'-Bis[[4-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-6-(p-sodiooxysulfonylanilino)-1,3,5-triazin-2-yl]amino]-2,2'-stilbenedisulfonic acid disodium salt
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 521 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 28
- Rotatable bonds
- 22
- Heavy atoms
- 80
- Formal charge
- 0
- Complexity
- 2,150
Physicochemical properties
- FDA UNII
- 7 H6IP22N91 · 7H6IP22N91
- EPA Substance Registry System
- 4 · Tetrasodium 4,4'-bis[[4-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-6-(p-sulfoanilino)-s-triazin-2-yl]amino]-2,2'-stilbenedisulfonate (29637-52-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…