Basic information
- CAS
25188-41-4- Standard SMILES
O=C(Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)O)cc4)cc3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)O)cc4)cc3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1- InChIKey
IUNAENBIEJRAKZ-UHFFFAOYSA-N- Molecular formula
- C45H32N10O21S6
- Average molar mass
- 1,241.2 g/mol
- Monoisotopic mass
- 1,240.00677404
Overview
Sirius red F3B (acid form) is a naphthalenesulfonic acid that is the free acid form of the dye Sirius red F3B. The hexasodium salt is a histological dye used principally in staining methods for collagen and amyloid. It has a role as a fluorochrome and a histological dye. It is a member of azobenzenes, a member of naphthols, a naphthalenesulfonic acid and a member of ureas. It is a conjugate acid of a Sirius red F3B(6-).
Names & identifiers
- Preferred name
- 7,7'-(Carbonyldiimino)bis(4-hydroxy-3-(2-(2-sulfo-4-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)-2-naphthalenesulfonic acid)
- IUPAC
- 4-hydroxy-7-[[5-hydroxy-7-sulfo-6-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalen-2-yl]carbamoylamino]-3-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
- English name
- C.I. direct red 80
- Molecular formula
- C45H32N10O21S6
- Molecular weight
- 1241.18
Names & synonyms
25188-41-4RefChem:10742527,7'-(Carbonyldiimino)bis(4-hydroxy-3-(2-(2-sulfo-4-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)-2-naphthalenesulfonic acid)direct red 80 free acidSirius red F3B (acid form)29AND524MI2-Naphthalenesulfonic acid, 7,7'-(carbonyldiimino)bis(4-hydroxy-3-((2-sulfo-4-((4-sulfophenyl)azo)phenyl)azo)-7,7'-(Carbonylbis(azanediyl))bis(4-hydroxy-3-((2-sulfo-4-((4-sulfophenyl)diazenyl)phenyl)diazenyl)naphthalene-2-sulfonic acid)7,7'-(Carbonyldiimino)bis(4-hydroxy-3-((2-sulfo-4-((4-sulfophenyl)azo)phenyl) azo)-2-naphthalenesulfonic acid)7,7'-[Carbonylbis(azanediyl)]bis[4-hydroxy-3-({2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonic acid]J269.409CSirius red F3B free acid
Show more names
C.I. direct red 802-Naphthalenesulfonic acid, 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[2-[2-sulfo-4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-
UNII-29AND524MIdirect red 80 (acid form)C.I. Direct Red 80 parentCHEMBL4082979DTXSID0045044SCHEMBL19958353CHEBI:88280IUNAENBIEJRAKZ-UHFFFAOYSA-N
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 557 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 29
- Rotatable bonds
- 16
- Heavy atoms
- 82
- Formal charge
- 0
- Complexity
- 2,870
Physicochemical properties
- FDA UNII
- 29 AND524MI · 29AND524MI
Chemistry & industry
Additional notes
DefinitionChEBI: A naphthalenesulfonic acid that is the free acid form of the dye Sirius red F3B. The hexasodium salt is a histological dye used principally in staining methods for collagen and amyloid.
Related reactions
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Compound notes
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