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Details

Stereochemistry ACHIRAL
Molecular Formula C34H24N6O16S4.4Na
Molecular Weight 992.804
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of DIRECT BLUE 1

SMILES

[Na+].[Na+].[Na+].[Na+].COC1=CC(=CC=C1\N=N\C2=CC=C3C(=CC(=C(N)C3=C2O)S([O-])(=O)=O)S([O-])(=O)=O)C4=CC=C(\N=N\C5=CC=C6C(=CC(=C(N)C6=C5O)S([O-])(=O)=O)S([O-])(=O)=O)C(OC)=C4

InChI

InChIKey=BPHHNXJPFPEJOF-GPTZEZBUSA-J
InChI=1S/C34H28N6O16S4.4Na/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37+,40-38+;;;;

HIDE SMILES / InChI

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
190.0 nM [Ki]

PubMed