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Chemical structure of Aristolactam

GC35388

Aristolactam

Also listed as Aristolactam I

Aristololactam I (AL-I), is the main metabolite of aristolochic acid I (AA-I), participates in the processes that lead to renal damage

ChemicalCAS13395-02-3MW293.27FormulaC17H11NO4
CAS number
13395-02-3
Molecular weight
293.27
Formula
C17H11NO4
Solubility
DMSO ： 12·5 mg/mL (42·62 mM; Need ultrasonic); H2O ： < 0·1 mg/mL (insoluble)
InChIKey
MXOKGWUJNGEKBH-UHFFFAOYSA-N
Catalogue number
GC35388
Brand
GLPBIO
Computed properties PubChem CID 96710 · XLogP 3.1 · TPSA 56.8 Ų · H-bond donors 1
XLogP
3.1
TPSA
56.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
22

SMILES COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC5=C3OCO5

Computed descriptors from PubChem (CID 96710), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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