TRYPARSAMIDE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4NN21HAX16

Structure

InChI Key UEYIAABRKWHXJV-UHFFFAOYSA-M
Smiles [Na+].NC(=O)CNc1ccc(cc1)[As](=O)(O)[O-]
InChI
InChI=1/C8H11AsN2O4.Na/c10-8(12)5-11-7-3-1-6(2-4-7)9(13,14)15;/h1-4,11H,5H2,(H2,10,12)(H2,13,14,15);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H11AsN2O4.Na
Molecular Weight 295.98
AlogP -5.0
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 116.47
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 554-72-3
NORMAN SUSDAT
FDA SRS 4NN21HAX16
CONTENTS