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Details

Stereochemistry ACHIRAL
Molecular Formula C34H28N6O16S4
Molecular Weight 904.877
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of DIRECT BLUE 1 ACID

SMILES

COC1=C(C=CC(=C1)C2=CC(OC)=C(C=C2)\N=N\C3=C(O)C4=C(N)C(=CC(=C4C=C3)S(O)(=O)=O)S(O)(=O)=O)\N=N\C5=C(O)C6=C(N)C(=CC(=C6C=C5)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=OHMJKMNGYYWCHB-HVMBLDELSA-N
InChI=1S/C34H28N6O16S4/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)/b39-37+,40-38+

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
190.0 nM [Ki]
PubMed

PubMed

TitleDatePubMed
Name Type Language
DIRECT BLUE 1 ACID
Common Name English
C.I. DIRECT BLUE 1, FREE ACID
Common Name English
1,3-NAPHTHALENEDISULFONIC ACID, 6,6'-((3,3'-DIMETHOXY(1,1'-BIPHENYL)-4,4'-DIYL)BIS(2,1-DIAZENEDIYL))BIS(4-AMINO-5-HYDROXY-
Systematic Name English
Code System Code Type Description
CAS
3841-14-3
Created by admin on Fri Dec 15 17:18:05 GMT 2023 , Edited by admin on Fri Dec 15 17:18:05 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
EPA CompTox
DTXSID3063207
Created by admin on Fri Dec 15 17:18:05 GMT 2023 , Edited by admin on Fri Dec 15 17:18:05 GMT 2023
PRIMARY
ECHA (EC/EINECS)
223-333-5
Created by admin on Fri Dec 15 17:18:05 GMT 2023 , Edited by admin on Fri Dec 15 17:18:05 GMT 2023
PRIMARY
FDA UNII
R1UJK1UY9R
Created by admin on Fri Dec 15 17:18:05 GMT 2023 , Edited by admin on Fri Dec 15 17:18:05 GMT 2023
PRIMARY