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AG-690/33362013 is available in 87 mg

Compound details
MDL #:		MFCD00401289
Formula:		C17 H19 N O5
Weight:		317.34
Chiral info:		Not available
Name:		butyl 3a,8b-dihydroxy-2-methyl-4-oxo-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrole-3-carboxylate
SMILES:		CCCCOC(=O)C1=C(C)NC2(O)(c3ccccc3(C(=O)C12(O)))
InChI^TM:		InChI=1S/C17H19NO5/c1-3-4-9-23-15(20)13-10(2)18-17(22)12-8-6-5-7-11(12)14(19)16(13,17)21/h5-8,18,21-22H,3-4,9H2,1-2H3
InChIKey^TM:		MIQWYWWCDGGBGC-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		1420 mg/Kg
Chronic LOAEL:		43.3 mg/Kg
Developmental Toxicity Potential:		0.99

Chemical properties calculations
LogP:	1.7	H-acceptors: 6
LogS:	-1.96	H-donors: 3
tPSA:	95.86 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.