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17413-38-6

17413-38-6 structural image
Product Name: ARISTOLOCHIC ACID D(RG)(PLEASE CALL)
Formula: C17H11NO8
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COMPUTED DESCRIPTORS

Molecular Weight 357.3 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 2
Exact Mass 357.04846631 g/mol
Monoisotopic Mass 357.04846631 g/mol
Topological Polar Surface Area 131 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 580
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 D 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, by a methoxy group at position 8, and by a nitro group at position 10. It has a role as a carcinogenic agent, a metabolite, 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.