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AK-968/37050024 is available in 133 mg

Compound details
MDL #:		MFCD00785393
Formula:		C17 H19 N O6
Weight:		333.34
Chiral info:		Not available
Name:		2-ethoxyethyl 3a,8b-dihydroxy-2-methyl-4-oxo-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrole-3-carboxylate
SMILES:		CCOCCOC(=O)C1=C(C)NC2(O)(c3ccccc3(C(=O)C12(O)))
InChI^TM:		InChI=1S/C17H19NO6/c1-3-23-8-9-24-15(20)13-10(2)18-17(22)12-7-5-4-6-11(12)14(19)16(13,17)21/h4-7,18,21-22H,3,8-9H2,1-2H3
InChIKey^TM:		ZHICJOIUIGYFNT-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		1450 mg/Kg
Chronic LOAEL:		41.7 mg/Kg
Developmental Toxicity Potential:		0.97

Chemical properties calculations
LogP:	0.45	H-acceptors: 7
LogS:	-1	H-donors: 3
tPSA:	105.09 Å²	Rotatable bonds: 6

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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.