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4849-90-5

4849-90-5 structural image
Product Name: ARISTOLOCHIC ACID C
Formula: C16H9NO7
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COMPUTED DESCRIPTORS

Molecular Weight 327.24 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 1
Exact Mass 327.03790163 g/mol
Monoisotopic Mass 327.03790163 g/mol
Topological Polar Surface Area 122 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 535
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Aristolochic acid C is an aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions, by an hydroxy group at position 6, and by a nitro group at position 10. It has a role as a carcinogenic agent, a metabolite, a mutagen, a nephrotoxin and a toxin. It is a C-nitro compound, a member of aristolochic acids, an aromatic ether, a cyclic acetal, a monocarboxylic acid and an organic heterotetracyclic compound.