Remazol Brilliant Blue R
Basic information
- CAS
6522-88-9- Standard SMILES
Nc1c(S(=O)(=O)O)cc(Nc2cccc(S(=O)(=O)CCOS(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O- InChIKey
VGPIJNLQDSYRBZ-UHFFFAOYSA-N- Molecular formula
- C22H18N2O11S3
- Average molar mass
- 582.6 g/mol
- Monoisotopic mass
- 582.0072724
Overview
structure
Names & identifiers
- Preferred name
- Remazol Brilliant Blue R
- IUPAC
- 1-amino-9,10-dioxo-4-[3-(2-sulfooxyethylsulfonyl)anilino]anthracene-2-sulfonic acid
Names & synonyms
6522-88-9Remazol brilliant blue RRefChem:930645Reactive Blue 19 parent2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-SCHEMBL2687745DTXSID7047011SCHEMBL30870099NS000091441-Amino-9,10-dioxo-4-{3-[2-(sulfooxy)ethanesulfonyl]anilino}-9,10-dihydroanthracene-2-sulfonic acid
Database identifiers
- CAS
6522-88-9- PubChem CID
- 17410
- DTXSID
DTXSID7047011- Nikkaji
- J31.598B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 249 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,230
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationChemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS.
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Compound notes
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