Aristolactam I

Catalog	BBC13395023
CAS	13395-02-3
Structure
Description	Aristololactam I (AL-I), is the main metabolite of aristolochic acid I (AA-I), participates in the processes that lead to renal damage.Aristololactam I (AL-I) directly injures renal proximal tubule cells, the cytotoxic potency of AL-I is higher than that of AA-I and that the cytotoxic effects of these molecules are mediated through the induction of apoptosis in a caspase-3-dependent pathway.
Synonyms	8-Methoxy-6-aminophenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid 5,6-lactam
IUPAC Name	14-Methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one
Molecular Weight	293.27
Molecular Formula	C17H11NO4
Canonical SMILES	COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC5=C3OCO5
InChI	InChI=1S/C17H11NO4/c1-20-12-4-2-3-8-9(12)5-11-14-10(17(19)18-11)6-13-16(15(8)14)22-7-21-13/h2-6H,7H2,1H3,(H,18,19)
InChI Key	MXOKGWUJNGEKBH-UHFFFAOYSA-N
Boiling Point	463.9±34.0 °C
Melting Point	319 °C
Purity	98%
Density	1.49 g/ml
Appearance	Powder
Storage	4°C, protect from light*In solvent : -80°C, 6 months; -20°C, 1 month (protect from light).
pKa	12.36±0.20