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Chemical structure of Aristolochic acid D

GC35391

Aristolochic acid D

Also known as 10-hydroxy-8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid

Aristolochic acid D is an aristolochic acid derivative isolated from stems of Aristolochia indica· Aristolochic acid is nephrotoxin and carcinogen

ChemicalCAS17413-38-6MW357.27FormulaC17H11NO8
CAS number
17413-38-6
Molecular weight
357.27
Formula
C17H11NO8
Solubility
Soluble in DMSO
InChIKey
PADIFGYTAXNCRK-UHFFFAOYSA-N
Catalogue number
GC35391
Brand
GLPBIO
Computed properties PubChem CID 161218 · XLogP 3.2 · TPSA 131 Ų · H-bond donors 2
XLogP
3.2
TPSA
131 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
2
Heavy atoms
26

SMILES COC1=CC(=CC2=C3C(=C(C=C12)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O)O

Computed descriptors from PubChem (CID 161218), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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