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CHEBI:88189 - Celestin blue B(1+)

ChEBI IDCHEBI:88189
ChEBI NameCelestin blue B(1+)
Stars
DefinitionAn organic cation that is 3,4-dihydroxyphenoxazin-5-ium carrying additional carbamoyl and diethylamino groups at positions 1 and 7 respectively. The chloride salt is the histological dye 'Celestin blue B'.
Last Modified12 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC17H18N3O4
Net Charge+1
Average Mass328.348
Monoisotopic Mass328.12918
SMILESCCN(CC)c1ccc2nc3c(C(N)=O)cc(O)c(O)c3[o+]c2c1
InChIInChI=1S/C17H17N3O4/c1-3-20(4-2)9-5-6-11-13(7-9)24-16-14(19-11)10(17(18)23)8-12(21)15(16)22/h5-8H,3-4H2,1-2H3,(H3-,18,19,21,22,23)/p+1
InChIKeyYAWTZTDMXHYGQM-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
Celestin blue B(1+) (CHEBI:88189) is a organic cation (CHEBI:25697)
Incoming Relation(s)
Celestin blue B (CHEBI:88183) has part Celestin blue B(1+) (CHEBI:88189)
IUPAC Name 
1-carbamoyl-7-(diethylamino)-3,4-dihydroxyphenoxazin-5-ium
Synonym  Source
Celestin blue B cationChEBI
Registry NumbersSources
Reaxys:3915005Reaxys