2,7-NAPHTHALENEDISULFONIC ACID, 3-[[4-[[2-(ACETYLAMINO)-4-(DIETHYLAMINO)PHENYL]AZO][1,1-BIPHENYL]-4-YL]AZO]-4-AMINO-5-HYDROXY-6-[(4-SULFOPHENYL)AZO]-, TRISODIUM SALT

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key MIXJDBGJNZNUPN-UHFFFAOYSA-N
Smiles COc1ccc(C)cc1NC(=O)CN(c2cccc(C)c2)[S](=O)(=O)c3ccccc3
InChI
InChI=1S/C23H24N2O4S/c1-17-8-7-9-19(14-17)25(30(27,28)20-10-5-4-6-11-20)16-23(26)24-21-15-18(2)12-13-22(21)29-3/h4-15H,16H2,1-3H3,(H,24,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H24N2O4S1
Molecular Weight 424.15
AlogP 4.8
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 79.2
Heavy Atoms 30.0

Cross References

Resources Reference
CAS NUMBER 6486-53-9
NORMAN SUSDAT
CONTENTS