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CHEBI:87202 - rose bengal free acid

Default Structure
ChEBI IDCHEBI:87202
ChEBI Namerose bengal free acid
Stars
DefinitionA xanthene dye that is fluorescein bearing bromine substituents at positions 2', 4', 5' and 7' (on the xanthene ring) and iodine substituents at position 2, 3, 4, and 5 (on the phenyl ring). The dipotassium salt is the biological stain 'rose bengal'.
Last Modified29 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC20H4Cl4I4O5
Net Charge0
Average Mass973.675
Monoisotopic Mass971.49918
SMILESO=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12
InChIInChI=1S/C20H4Cl4I4O5/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29H,(H,31,32)
InChIKeyVDNLFJGJEQUWRB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Applications:
ophthalmology drug  Any compound used for the treatment of eye conditions or eye diseases.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
fluorochrome  A fluorescent dye used to stain biological specimens.
antipsoriatic  A drug used to treat psoriasis.
dye 
ChEBI Ontology
Outgoing Relation(s)
rose bengal free acid (CHEBI:87202) has functional parent fluorescin (CHEBI:42492)
rose bengal free acid (CHEBI:87202) has role antineoplastic agent (CHEBI:35610)
rose bengal free acid (CHEBI:87202) has role antipsoriatic (CHEBI:50748)
rose bengal free acid (CHEBI:87202) has role fluorochrome (CHEBI:51217)
rose bengal free acid (CHEBI:87202) has role ophthalmology drug (CHEBI:66981)
rose bengal free acid (CHEBI:87202) is a benzoic acids (CHEBI:22723)
rose bengal free acid (CHEBI:87202) is a neoflavonoid (CHEBI:71971)
rose bengal free acid (CHEBI:87202) is a organic molecular entity (CHEBI:50860)
rose bengal free acid (CHEBI:87202) is a organoiodine compound (CHEBI:37142)
rose bengal free acid (CHEBI:87202) is a phenols (CHEBI:33853)
rose bengal free acid (CHEBI:87202) is a tetrachlorobenzene (CHEBI:26888)
rose bengal free acid (CHEBI:87202) is a xanthene dye (CHEBI:37929)
rose bengal free acid (CHEBI:87202) is conjugate acid of rose bengal(2−) (CHEBI:52904)
Incoming Relation(s)
rose bengal(2−) (CHEBI:52904) is conjugate base of rose bengal free acid (CHEBI:87202)
Synonyms  Source
2',4',5',7'-tetrabromo-2,3,4,5-tetraiodofluoresceinChEBI
NSC-10463ChEMBL
Rose bengalChEMBL
Rose bengal free acidChEMBL
Citations