CHEBI:87217 - azocarmine B free acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name azocarmine B free acid
ChEBI ID CHEBI:87217
Definition An organic heterotetracyclic compound that is 7-phenyl-5-imino-5,7-dihydrobenzo[a]phenazine-3-sulfonic acid in which the imino hydrogen is replaced by a 2,4-disulfophenyl group. The disodium salt is the biological stain 'azocarmine B'.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C28H19N3O9S3
Net Charge 0
Average Mass 637.66000
Monoisotopic Mass 637.02834
InChI InChI=1S/C28H19N3O9S3/c32-41(33,34)18-10-12-20-21(14-18)24(29-23-13-11-19(42(35,36)37)15-27(23)43(38,39)40)16-26-28(20)30-22-8-4-5-9-25(22)31(26)17-6-2-1-3-7-17/h1-16H,(H,32,33,34)(H,35,36,37)(H,38,39,40)/b29-24-
InChIKey TUTFTSGRPHVEDD-OLFWJLLRSA-N
SMILES OS(=O)(=O)c1ccc(\N=c2\cc3n(-c4ccccc4)c4ccccc4nc3c3ccc(cc23)S(O)(=O)=O)c(c1)S(O)(=O)=O
ChEBI Ontology
Outgoing azocarmine B free acid (CHEBI:87217) is a arenesulfonic acid (CHEBI:33555)
azocarmine B free acid (CHEBI:87217) is a imine (CHEBI:24783)
azocarmine B free acid (CHEBI:87217) is a organic heterotetracyclic compound (CHEBI:38163)
azocarmine B free acid (CHEBI:87217) is conjugate acid of azocarmine B(2−) (CHEBI:87216)
Incoming azocarmine B(2−) (CHEBI:87216) is conjugate base of azocarmine B free acid (CHEBI:87217)
IUPAC Name
4-[(7-phenyl-3-sulfobenzo[a]phenazin-5-ylidene)amino]benzene-1,3-disulfonic acid
Last Modified
14 July 2016