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AQ-405/42300221 is available in 25 mg

Compound details
MDL #:		MFCD04153604
Formula:		C23 H30 N4 O6
Weight:		458.51
Salt Data:		2 HCl
Chiral info:		Not available
Name:		3-methyl 5-[2-(4-methyl-1-piperazinyl)ethyl] 4-{3-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
SMILES:		COC(=O)C3=C(C)NC(C)=C(C(=O)OCCN1CCN(C)CC1)C3(c2cccc(c2)[N+](=O)[O-])
InChI^TM:		InChI=1S/C23H30N4O6/c1-15-19(22(28)32-4)21(17-6-5-7-18(14-17)27(30)31)20(16(2)24-15)23(29)33-13-12-26-10-8-25(3)9-11-26/h5-7,14,21,24H,8-13H2,1-4H3
InChIKey^TM:		ISDGPWYUTXLTEH-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		40000 mg/Kg
Chronic LOAEL:		0.012 mg/Kg
Developmental Toxicity Potential:		0.91

Chemical properties calculations
LogP:	1.78	H-acceptors: 7
LogS:	-3.44	H-donors: 1
tPSA:	114.25 Å²	Rotatable bonds: 9

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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.