Brillant blue
3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]anilino]methyl]benzenesulfonate
Molecular Identity
Brillant blue
3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]anilino]methyl]benzenesulfonate
PubChem CID: 123671
2D Structure
Properties
C37H36N2O9S3
Molecular Formula
748.90
Molecular Weight
g/mol
748.1583
Exact Mass
Da
4.7
XLogP
Drug-like (Lipinski: < 5)
197
TPSA
May have limited oral absorption
2
H-Bond Donors
10
H-Bond Acceptors
1630
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Brillant blue25305-78-61Y6J4O88C8N-Ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfobenzenemethanaminium inner saltJ291.097GDTXSID1043758Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner saltRefChem:1080127DTXCID902375868921-42-6AlphazurineFood Blue No. 1 Aluminum Lake ,Acid Sky Blue A3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]anilino]methyl]benzenesulfonate3-((ethyl((1E,4E)-4-((4-(ethyl(3-sulfobenzyl)amino)phenyl)(2-sulfophenyl)methylene)cyclohexa-2,5-dien-1-ylidene)ammonio)methyl)benzenesulfonate
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Brillant blue
Loading drug network...