Molecular Identity
C.I. Acid Blue 90
sodium 3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]-2-methylcyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate
PubChem CID: 61363
2D Structure
Properties
C47H48N3NaO7S2
Molecular Formula
854.00
Molecular Weight
g/mol
853.2831
Exact Mass
Da
159
TPSA
May have limited oral absorption
1
H-Bond Donors
9
H-Bond Acceptors
1610
Complexity
SMILES
Canonical SMILES
SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC(=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3C)C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC)C.[Na+]Isomeric SMILES
SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC(=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3C)C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC)C.[Na+]Synonyms(20)
Brilliant Blue G6104-58-1Acid Blue 90C.I. Acid Blue 90Derma Cyanine GImpero Azure GBenzyl Cyanine GBrilliant Blue JCoomassie Blue G 250Optanol Cyanine GFenazo Blue XXFGAcidine Sky Blue GSilk Fast Cyanine GWater Blue 150tissueblue
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to C.I. Acid Blue 90
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