REACTION PRODUCTS OF DIAZOTISED ANTHRANILIC ACID AND RESORCINOL, SUBSEQUENTLY COUPLED WITH DIAZOTISED 5-AMINONAPHTHALENE-1-SULFONIC ACID AND CHELATED WITH CHROMIUM (3+), SODIUM SALTS

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key CMEFSKZGAUVTCO-UHFFFAOYSA-K
Smiles O=C1C=CC(=N[N-]c2ccccc2C(=O)[O-])C(=O)/C/1=N/Nc1cccc2c1cccc2S(=O)(=O)[O-]
InChI
InChI=1S/C23H16N4O7S/c28-19-12-11-18(26-24-17-8-2-1-5-15(17)23(30)31)22(29)21(19)27-25-16-9-3-7-14-13(16)6-4-10-20(14)35(32,33)34/h1-12H,(H4,24,25,28,29,30,31,32,33,34)/p-3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H16N4O7S
Molecular Weight 489.05
AlogP 3.43
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 190.06
Heavy Atoms 35.0

Cross References

Resources Reference
CAS NUMBER 94933-05-8
NORMAN SUSDAT
CONTENTS