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CHEBI:9505 - nitro blue tetrazolium dichloride

ChEBI IDCHEBI:9505
ChEBI Namenitro blue tetrazolium dichloride
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DefinitionAn organic chloride salt having nitro blue tetrazolium(2+) as the counterion.
Last Modified8 January 2016
DownloadsMolfile
FormulaC40H30N10O6.2Cl
Net Charge0
Average Mass817.650
Monoisotopic Mass816.17268
SMILESCOc1cc(-c2ccc(-[n+]3nc(-c4ccccc4)nn3-c3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1-[n+]1nc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1.[Cl-].[Cl-]
InChIInChI=1S/C40H30N10O6.2ClH/c1-55-37-25-29(13-23-35(37)47-43-39(27-9-5-3-6-10-27)41-45(47)31-15-19-33(20-16-31)49(51)52)30-14-24-36(38(26-30)56-2)48-44-40(28-11-7-4-8-12-28)42-46(48)32-17-21-34(22-18-32)50(53)54;;/h3-26H,1-2H3;2*1H/q+2;;/p-2
InChIKeyFSVCQIDHPKZJSO-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
nitro blue tetrazolium dichloride (CHEBI:9505) has part nitro blue tetrazolium(2+) (CHEBI:7586)
nitro blue tetrazolium dichloride (CHEBI:9505) is a organic chloride salt (CHEBI:36094)
IUPAC Name 
3,3'-(3,3'-dimethoxy-[1,1'-biphenyl]-4,4'-diyl)bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium] dichloride
Synonyms  Source
Nitro blue tetrazoliumKEGG COMPOUND
Nitro Blue tetrazolium chlorideChemIDplus
Nitroblue tetrazolium chlorideChemIDplus
5,5'-diphenyl-3,3'-bis(4-nitrophenyl)-2,2'-(3,3'-dimethoxybiphenyl-4,4'-ylene)ditetrazolium dichlorideChemIDplus
3,3'-[3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl]bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazolium] dichlorideChemIDplus
NBTChemIDplus
Manual XrefsDatabases
C13503KEGG COMPOUND
D02003KEGG DRUG
Registry NumbersSources
Beilstein:4115923Beilstein
CAS:298-83-9ChemIDplus
CAS:298-83-9KEGG COMPOUND