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CHEBI:87468 - benzo scarlet 4BNS

ChEBI IDCHEBI:87468
ChEBI Namebenzo scarlet 4BNS
Stars
DefinitionAn organic sodium salt that is the trisodium salt of 4-hydroxy-7-[({5-hydroxy-6-[(3-methoxyphenyl)diazenyl]-7-sulfonaphthalen-2-yl}carbamoyl)amino]-3-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid. A direct cotton dye that is also capable of hydrogen bonding to amyloid and giving a dark enough red colour to be useful in diagnostic histology.
Last Modified13 August 2015
SubmitterSteve
DownloadsMolfile
FormulaC38H25N6O13S3.3Na
Net Charge0
Average Mass938.818
Monoisotopic Mass938.03348
SMILESCOc1cccc(N=Nc2c(S(=O)(=O)[O-])cc3cc(NC(=O)Nc4ccc5c(O)c(N=Nc6ccc7cc(S(=O)(=O)[O-])ccc7c6)c(S(=O)(=O)[O-])cc5c4)ccc3c2O)c1.[Na+].[Na+].[Na+]
InChIInChI=1S/C38H28N6O13S3.3Na/c1-57-28-4-2-3-26(19-28)41-43-34-32(59(51,52)53)17-22-14-24(8-11-30(22)36(34)45)39-38(47)40-25-9-12-31-23(15-25)18-33(60(54,55)56)35(37(31)46)44-42-27-7-5-21-16-29(58(48,49)50)10-6-20(21)13-27;;;/h2-19,45-46H,1H3,(H2,39,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3
InChIKeyARFFDLGGWDRGGT-UHFFFAOYSA-K
Roles Classification
Application:
histological dye  A dye used in microscopic or electron microscopic examination of cells and tissues to give contrast and to highlight particular features of interest, such as nuclei and cytoplasm.
ChEBI Ontology
Outgoing Relation(s)
benzo scarlet 4BNS (CHEBI:87468) has part benzo scarlet 4BNS(3−) (CHEBI:87470)
benzo scarlet 4BNS (CHEBI:87468) has role histological dye (CHEBI:77178)
benzo scarlet 4BNS (CHEBI:87468) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
trisodium 4-hydroxy-7-[({5-hydroxy-6-[(3-methoxyphenyl)diazenyl]-7-sulfonatonaphthalen-2-yl}carbamoyl)amino]-3-[(6-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate
Synonyms  Source
benzo fast scarlet 4BENChEBI
C.I. 29200ChEBI
direct red 72ChEBI
amyloid redChEBI