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AN-655/14613013 is available in 63 mg

Compound details
MDL #:		MFCD02182570
Formula:		C15 H17 N3 O6
Weight:		335.31
Chiral info:		Not available
Name:		methyl 4-{5-nitro-2-methoxyphenyl}-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SMILES:		COC(=O)C2=C(C)N(C)C(=O)NC2(c1cc(ccc1(OC))[N+](=O)[O-])
InChI^TM:		InChI=1S/C15H17N3O6/c1-8-12(14(19)24-4)13(16-15(20)17(8)2)10-7-9(18(21)22)5-6-11(10)23-3/h5-7,13H,1-4H3,(H,16,20)
InChIKey^TM:		PAMXUOFLAITYAW-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		117000 mg/Kg
Chronic LOAEL:		6.66 mg/Kg
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	1.43	H-acceptors: 5
LogS:	-3.26	H-donors: 1
tPSA:	111.01 Å²	Rotatable bonds: 5

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Disclaimer: Predicted physical and biological properties, such as toxicity, mentioned on this website are indicative only and may not be relied upon in any way. Liability for damages of any kind resulting from reliance on these properties is expressly rejected.