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AE-641/00390042 is available in 22 mg

Compound details
MDL #:		MFCD00020528
Formula:		C12 H15 N O4
Weight:		237.25
Chiral info:		Not available
Name:		4-(4-ethoxyanilino)-4-oxobutanoic acid
SMILES:		CCOc1ccc(cc1)NC(=O)CCC(O)=O
InChI^TM:		InChI=1S/C12H15NO4/c1-2-17-10-5-3-9(4-6-10)13-11(14)7-8-12(15)16/h3-6H,2,7-8H2,1H3,(H,13,14)(H,15,16)
InChIKey^TM:		YXCPMPAALKOYQA-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		1320 mg/Kg
Chronic LOAEL:		4 mg/Kg

Chemical properties calculations
LogP:	1.42	H-acceptors: 4
LogS:	-2.14	H-donors: 2
tPSA:	75.63 Å²	Rotatable bonds: 7

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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.