2-ANTHRACENECARBOXAMIDE, 4-AMINO-9,10-DIHYDRO-N-(3-METHOXYPROPYL)-1-NITRO-9,10-DIOXO-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EA41GJM9G3
EPA CompTox DTXSID1069950

Structure

InChI Key LXOWAMNDRCJQED-UHFFFAOYSA-N
Smiles COCCCNC(=O)c1c(c2c(c(N)c1)C(=O)c1c(cccc1)C2=O)[N+](=O)[O-]
InChI
InChI=1S/C19H17N3O6/c1-28-8-4-7-21-19(25)12-9-13(20)14-15(16(12)22(26)27)18(24)11-6-3-2-5-10(11)17(14)23/h2-3,5-6,9H,4,7-8,20H2,1H3,(H,21,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H17N3O6
Molecular Weight 383.11
AlogP 2.29
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 145.12
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 63589-26-4
NORMAN SUSDAT
FDA SRS EA41GJM9G3
PubChem 5485986
ChemSpider 4588762.0
CONTENTS