Molecular Identity
C.I. Direct Blue 14
tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
PubChem CID: 6296
Trypan Blue (Commercial Grade) can cause cancer according to California Labor Code.
2D Structure
Properties
C34H24N6Na4O14S4
Molecular Formula
960.80
Molecular Weight
g/mol
959.9824
Exact Mass
Da
404
TPSA
May have limited oral absorption
4
H-Bond Donors
20
H-Bond Acceptors
1790
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)C)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N)O.[Na+].[Na+].[Na+].[Na+]Isomeric SMILES
SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)C)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N)O.[Na+].[Na+].[Na+].[Na+]Synonyms(20)
C.I. Direct Blue 14DTXSID4026268DTXCID006268RefChem:1080556TRYPAN BLUEDirect Blue 1472-57-1Niagara BlueBenzamine BlueDianil blueBenzo BlueCongo BlueNaphthylamine BlueDiphenyl BlueVisionBlue
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to C.I. Direct Blue 14
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